成人免费xx,国产又黄又湿又刺激不卡网站,成人性视频app菠萝网站,色天天天天

Home Cart 0 Sign in  

[ CAS No. 14191-95-8 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 14191-95-8
Chemical Structure| 14191-95-8
Structure of 14191-95-8 * Storage: {[proInfo.prStorage]}

Please Login or Create an Account to: See VIP prices and availability

Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Search after Editing

* Storage: {[proInfo.prStorage]}

* Shipping: {[proInfo.prShipping]}

Quality Control of [ 14191-95-8 ]

Related Doc. of [ 14191-95-8 ]

Alternatived Products of [ 14191-95-8 ]
Product Citations

Product Details of [ 14191-95-8 ]

CAS No. :14191-95-8 MDL No. :MFCD00002383
Formula : C8H7NO Boiling Point : -
Linear Structure Formula :- InChI Key :AYKYOOPFBCOXSL-UHFFFAOYSA-N
M.W : 133.15 Pubchem ID :26548
Synonyms :
Chemical Name :2-(4-Hydroxyphenyl)acetonitrile

Calculated chemistry of [ 14191-95-8 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 10
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.12
Num. rotatable bonds : 1
Num. H-bond acceptors : 2.0
Num. H-bond donors : 1.0
Molar Refractivity : 37.99
TPSA : 44.02 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.05 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.14
Log Po/w (XLOGP3) : 1.49
Log Po/w (WLOGP) : 1.46
Log Po/w (MLOGP) : 1.12
Log Po/w (SILICOS-IT) : 1.65
Consensus Log Po/w : 1.37

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -1.98
Solubility : 1.39 mg/ml ; 0.0104 mol/l
Class : Very soluble
Log S (Ali) : -2.02
Solubility : 1.27 mg/ml ; 0.00951 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.28
Solubility : 0.7 mg/ml ; 0.00526 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.0

Safety of [ 14191-95-8 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P280 UN#:N/A
Hazard Statements:H302+H312+H332 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 14191-95-8 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 14191-95-8 ]

[ 14191-95-8 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 4985-46-0 ]
  • [ 14191-95-8 ]
  • 2
  • [ 14191-95-8 ]
  • [ 162709-84-4 ]
  • C51H85NO4 [ No CAS ]
YieldReaction ConditionsOperation in experiment
91.2% (4) Preparation of intermediate 2 wherein R is n-C12H25, the preparation route is as follows:In a 250 mL two-necked flask, magnetons were charged and 5.0 g (7.36 mmol) was added.3,4,5-tri-dodecyloxybenzyl chloride (X3-2-2), 3.0 g K2CO3 (43.9 mmol), 0.4 g (1.24 mmol) tetrabutylammonium bromide (TBAB), dissolved in 60 mL In acetone,The stirring was turned on and heated to reflux; 1.08 g (8.09 mmol) of p-hydroxyphenylacetonitrile (X3-1)Dissolved in 40 mL of acetone, and slowly added to the reaction system with a constant pressure funnel.After the addition was completed, the mixture was heated to reflux for 12 h, and the progress of the reaction was monitored by a TLC plate. After the reaction was completed, it was cooled to room temperature, filtered, and the residue was washed three times with acetone, dried over anhydrous MgSO 4 and filtered.The obtained filtrate was obtained as a white solid after the solvent was evaporated, and the crude product was purified by column chromatography to afford 5.2 g of Intermediate 2, which was named Y2-2, yield 91%.
Recommend Products
Same Skeleton Products

Technical Information

Historical Records

Related Functional Groups of
[ 14191-95-8 ]

Aryls

Chemical Structure| 25263-44-9

[ 25263-44-9 ]

2-(3-Hydroxyphenyl)acetonitrile

Similarity: 0.97

Chemical Structure| 104-47-2

[ 104-47-2 ]

4-Methoxyphenylacetonitrile

Similarity: 0.92

Chemical Structure| 262298-02-2

[ 262298-02-2 ]

4-Methoxy-2-methylphenylacetonitrile

Similarity: 0.89

Chemical Structure| 19924-43-7

[ 19924-43-7 ]

2-(3-Methoxyphenyl)acetonitrile

Similarity: 0.89

Chemical Structure| 14143-26-1

[ 14143-26-1 ]

4-Hydroxy-2-methylbenzonitrile

Similarity: 0.89

Nitriles

Chemical Structure| 25263-44-9

[ 25263-44-9 ]

2-(3-Hydroxyphenyl)acetonitrile

Similarity: 0.97

Chemical Structure| 104-47-2

[ 104-47-2 ]

4-Methoxyphenylacetonitrile

Similarity: 0.92

Chemical Structure| 262298-02-2

[ 262298-02-2 ]

4-Methoxy-2-methylphenylacetonitrile

Similarity: 0.89

Chemical Structure| 19924-43-7

[ 19924-43-7 ]

2-(3-Methoxyphenyl)acetonitrile

Similarity: 0.89

Chemical Structure| 14143-26-1

[ 14143-26-1 ]

4-Hydroxy-2-methylbenzonitrile

Similarity: 0.89

; ;