CAS RN: 10139-04-5
Phenyl N-Acetyl-α-D-glucosaminide
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251223 | 10mg / 50mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: ICTP0130
10139-04-5 / N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-phenoxyoxan-3-yl]acetamide
Phenyl 2-acetamido-2-deoxy-alpha-D-glucopyranoside | Phenyl N-Acetyl-alpha-D-glucosaminide | Phenyl 2-acetamido-2-deoxy-a-D-glucopyranoside
Basic Information
CAS
10139-04-5
Multi CAS
Yes
Molecular Formula
C14H19NO6
Molecular Weight
297.300000
Exact Mass
297.121237
SMILES
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OC2=CC=CC=C2)CO)O)O
InChI
InChI=1S/C14H19NO6/c1-8(17)15-11-13(19)12(18)10(7-16)21-14(11)20-9-5-3-2-4-6-9/h2-6,10-14,16,18-19H,7H2,1H3,(H,15,17)/t10-,11-,12-,13-,14+/m1/s1
InChIKey
ZUJDLWWYFIZERS-KSTCHIGDSA-N
Synonyms
Phenyl 2-acetamido-2-deoxy-alpha-D-glucopyranoside
Phenyl N-Acetyl-alpha-D-glucosaminide
Phenyl 2-acetamido-2-deoxy-a-D-glucopyranoside
alpha-D-Glucopyranoside, phenyl 2-(acetylamino)-2-deoxy-
CHEBI:61628
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
4
Molar refractivity
72.44
TPSA
108.25
LogP / Solubility
WLOGP
-0.99
MLOGP
-0.86
XLogP3
-0.9
Consensus LogP
-0.92
Log S (ESOL)
-1.01
Class (ESOL)
Soluble
Log S (Ali)
-1.28
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.25
Class (SILICOS-IT)
Soluble
ADME
GI absorption
Low
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)
-5.24
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
5
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