CAS RN: 85011-34-3
6-O-Acetyl-2,3,4-tri-O-benzyl-D-glucopyranose
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260207 | 1g | Out of stock | 30 business days | Inquiry |
- Product code: ICTA2636
85011-34-3 / [6-hydroxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl acetate
Basic Information
CAS
85011-34-3
Multi CAS
Yes
Molecular Formula
C29H32O7
Molecular Weight
492.600000
Exact Mass
492.214803
InChI
InChI=1S/C29H32O7/c1-21(30)32-20-25-26(33-17-22-11-5-2-6-12-22)27(34-18-23-13-7-3-8-14-23)28(29(31)36-25)35-19-24-15-9-4-10-16-24/h2-16,25-29,31H,17-20H2,1H3
InChIKey
RWWBTSOKCOYZSF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
36
Aromatic heavy atom count
18
Fraction Csp3
0.34
Rotatable bonds
11
H-bond acceptors
7
H-bond donors
1
Molar refractivity
132.57
TPSA
83.45
LogP / Solubility
WLOGP
4.02
MLOGP
3.58
XLogP3
3.5
Consensus LogP
3.7
Log S (ESOL)
-5.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.5
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.52
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.87
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
7
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