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[ CAS No. 3068-32-4 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 3068-32-4
Chemical Structure| 3068-32-4
Structure of 3068-32-4 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 3068-32-4 ]

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Product Citations

Product Details of [ 3068-32-4 ]

CAS No. :3068-32-4 MDL No. :MFCD00063686
Formula : C14H19BrO9 Boiling Point : -
Linear Structure Formula :(CH3CO2)3C5H5O(CH2O2CCH3)Br InChI Key :-
M.W : 411.20 Pubchem ID :-
Synonyms :
Acetylbromogalactose;Acetobromogalactose
Chemical Name :2,3,4,6-Tetra-O-acetyl-α-D-galactopyranosyl bromide

Calculated chemistry of [ 3068-32-4 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 24
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.71
Num. rotatable bonds : 9
Num. H-bond acceptors : 9.0
Num. H-bond donors : 0.0
Molar Refractivity : 81.39
TPSA : 114.43 ?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) : -7.74 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.99
Log Po/w (XLOGP3) : 1.5
Log Po/w (WLOGP) : 0.46
Log Po/w (MLOGP) : 0.08
Log Po/w (SILICOS-IT) : 0.65
Consensus Log Po/w : 0.94

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.74
Solubility : 0.748 mg/ml ; 0.00182 mol/l
Class : Soluble
Log S (Ali) : -3.51
Solubility : 0.127 mg/ml ; 0.000308 mol/l
Class : Soluble
Log S (SILICOS-IT) : -1.33
Solubility : 19.2 mg/ml ; 0.0467 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 4.94

Safety of [ 3068-32-4 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 3068-32-4 ]

* 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 [ 3068-32-4 ]

[ 3068-32-4 ] Synthesis Path-Downstream   1~10

  • 1
  • [ 2478-38-8 ]
  • [ 108-24-7 ]
  • [ 3068-32-4 ]
  • [ 28294-47-5 ]
  • [ 25878-60-8 ]
  • [ 130184-89-3 ]
  • 2
  • [ 108-24-7 ]
  • [ 498-02-2 ]
  • [ 3068-32-4 ]
  • [ 54771-60-7 ]
  • [ 25878-60-8 ]
  • [ 130184-87-1 ]
  • 3
  • [ 939-69-5 ]
  • [ 3068-32-4 ]
  • [ 131474-32-3 ]
  • 4
  • [ 42019-78-3 ]
  • [ 3068-32-4 ]
  • Acetic acid (2R,3S,4S,5R,6S)-3,5-diacetoxy-2-acetoxymethyl-6-[4-(4-chloro-benzoyl)-phenoxy]-tetrahydro-pyran-4-yl ester [ No CAS ]
  • 6
  • [ 403-01-0 ]
  • [ 3068-32-4 ]
  • methyl 3-fluoro-4-((2S,3R,4S,5S,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydro-2H-pyran-2-yloxy)benzoate [ No CAS ]
  • 7
  • [ 363-52-0 ]
  • [ 3068-32-4 ]
  • 1-O-(2',3',4',6'-tetra-O-acetyl-β-D-galactopyranosyl)-3-fluorocatechol [ No CAS ]
  • 8
  • [ 363-52-0 ]
  • [ 3068-32-4 ]
  • 1,2-di-O-(2',3',4',6'-tetra-O-acetyl-β-D-galactopyranosyl)-3-fluorocatechol [ No CAS ]
  • 9
  • [ 137215-27-1 ]
  • [ 3068-32-4 ]
  • [ 1469427-84-6 ]
  • 10
  • [ 149437-76-3 ]
  • [ 3068-32-4 ]
  • (2R,3S,4S,5R,6R)-2-(acetoxymethyl)-6-(5-(4-fluorophenyl)-5-oxopentanoyl)tetrahydro-2H-pyran-3, 4, 5-triyl triacetate [ No CAS ]
  • (2R,3S,4S,5R,6S)-2-(acetoxymethyl)-6-(5-(4-fluorophenyl)-5-oxopentanoyl)tetrahydro-2H-pyran-3, 4, 5-triyl triacetate [ No CAS ]
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