CAS RN: 17791-36-5
METHYL 2,3-DI-O-BENZYL-ALPHA-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.20250314 | 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS17791-36-5
- Purity/Analytical Methods: >99.0%
17791-36-5 / 2-(hydroxymethyl)-6-methoxy-4,5-bis(phenylmethoxy)oxan-3-ol
Basic Information
CAS
17791-36-5
Multi CAS
No
Molecular Formula
C21H26O6
Molecular Weight
374.400000
Exact Mass
374.172939
SMILES
COC1C(C(C(C(O1)CO)O)OCC2=CC=CC=C2)OCC3=CC=CC=C3
InChI
InChI=1S/C21H26O6/c1-24-21-20(26-14-16-10-6-3-7-11-16)19(18(23)17(12-22)27-21)25-13-15-8-4-2-5-9-15/h2-11,17-23H,12-14H2,1H3
InChIKey
AOHYQGVMTDLXSL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.43
Rotatable bonds
8
H-bond acceptors
6
H-bond donors
2
Molar refractivity
98.8
TPSA
77.38
LogP / Solubility
WLOGP
1.88
MLOGP
1.68
XLogP3
1.9
Consensus LogP
1.82
Log S (ESOL)
-3.15
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.99
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.62
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.67
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5
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