CAS RN: 27851-29-2
Benzyl 2,3,4-Tri-O-benzyl-β-D-glucopyranoside
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.20260603 | 50mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: ICTB4171
27851-29-2 / [3,4,5,6-tetrakis(phenylmethoxy)oxan-2-yl]methanol
Basic Information
CAS
27851-29-2
Multi CAS
Yes
Molecular Formula
C34H36O6
Molecular Weight
540.600000
Exact Mass
540.251189
InChI
InChI=1S/C34H36O6/c35-21-30-31(36-22-26-13-5-1-6-14-26)32(37-23-27-15-7-2-8-16-27)33(38-24-28-17-9-3-10-18-28)34(40-30)39-25-29-19-11-4-12-20-29/h1-20,30-35H,21-25H2
InChIKey
HYWPIYGUZWWMDH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
40
Aromatic heavy atom count
24
Fraction Csp3
0.29
Rotatable bonds
13
H-bond acceptors
6
H-bond donors
1
Molar refractivity
152.03
TPSA
66.38
LogP / Solubility
WLOGP
5.68
MLOGP
5.04
XLogP3
5
Consensus LogP
5.24
Log S (ESOL)
-6.35
Class (ESOL)
Insoluble
Log S (Ali)
-8.09
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.45
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.99
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.56
Leadlikeness
No
Synthetic Accessibility
7.5
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