CAS RN: 655-42-5
N-Benzoyl-D-glucosamine
Product Availability
Choose a grade to view its available package options.
5 package records1 with current stock2 grade groups
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250201 | 1g / 5g | Out of stock | 30 business days | Inquiry |
- Product code: ICTB0200
- Purity/Analytical Methods: >98.0%(N)
655-42-5 / N-(3,4,5,6-tetrahydroxy-1-oxohexan-2-yl)benzamide
Basic Information
CAS
655-42-5
Multi CAS
Yes
Molecular Formula
C13H17NO6
Molecular Weight
283.280000
Exact Mass
283.105587
InChI
InChI=1S/C13H17NO6/c15-6-9(11(18)12(19)10(17)7-16)14-13(20)8-4-2-1-3-5-8/h1-6,9-12,16-19H,7H2,(H,14,20)
InChIKey
QCYHKZRHOGVACA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
5
Molar refractivity
68.87
TPSA
127.09
LogP / Solubility
WLOGP
-1.94
MLOGP
-1.7
XLogP3
-1.8
Consensus LogP
-1.81
Log S (ESOL)
-0.13
Class (ESOL)
Very soluble
Log S (Ali)
-0.48
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.73
Class (SILICOS-IT)
Very 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)
-5.83
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3.5
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