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[ CAS No. 89524-98-1 ] {[proInfo.proName]}

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There will be a HazMat fee per item when shipping a dangerous goods. The HazMat fee will be charged to your UPS/DHL/FedEx collect account or added to the invoice unless the package is shipped via Ground service. Ship by air in Excepted Quantity (each bottle), which is up to 1g/1mL for class 6.1 packing group I or II, and up to 25g/25ml for all other HazMat items.

Type HazMat fee for 500 gram (Estimated)
Excepted Quantity USD 0.00
Limited Quantity USD 15-60
Inaccessible (Haz class 6.1), Domestic USD 80+
Inaccessible (Haz class 6.1), International USD 150+
Accessible (Haz class 3, 4, 5 or 8), Domestic USD 100+
Accessible (Haz class 3, 4, 5 or 8), International USD 200+
Chemical Structure| 89524-98-1
Chemical Structure| 89524-98-1
Structure of 89524-98-1 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 89524-98-1 ]

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Product Details of [ 89524-98-1 ]

CAS No. :89524-98-1 MDL No. :MFCD02178893
Formula : C10H20NO7P Boiling Point : No data available
Linear Structure Formula :- InChI Key :LJHAPRKTPAREGO-UHFFFAOYSA-N
M.W : 297.24 Pubchem ID :397380
Synonyms :
Chemical Name :Methyl 2-((tert-butoxycarbonyl)amino)-2-(dimethoxyphosphoryl)acetate

Calculated chemistry of [ 89524-98-1 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 19
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.8
Num. rotatable bonds : 9
Num. H-bond acceptors : 7.0
Num. H-bond donors : 1.0
Molar Refractivity : 66.82
TPSA : 109.97 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -7.95 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.77
Log Po/w (XLOGP3) : 0.23
Log Po/w (WLOGP) : 1.5
Log Po/w (MLOGP) : -0.15
Log Po/w (SILICOS-IT) : -0.65
Consensus Log Po/w : 0.74

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.23
Solubility : 17.4 mg/ml ; 0.0584 mol/l
Class : Very soluble
Log S (Ali) : -2.1
Solubility : 2.37 mg/ml ; 0.00796 mol/l
Class : Soluble
Log S (SILICOS-IT) : -1.22
Solubility : 17.9 mg/ml ; 0.0601 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 4.27

Safety of [ 89524-98-1 ]

Signal Word:Danger Class:6.1
Precautionary Statements:P264-P270-P301+P310-P330-P405-P501 UN#:2811
Hazard Statements:H301 Packing Group:
GHS Pictogram:
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Related Functional Groups of
[ 89524-98-1 ]

Amino Acid Derivatives

Chemical Structure| 88568-95-0

[ 88568-95-0 ]

Methyl 2-(((benzyloxy)carbonyl)amino)-2-(dimethoxyphosphoryl)acetate

Similarity: 0.84

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