CAS RN: 869107-36-8
4-Methoxyphenyl 2,3,6-Tri-O-benzyl-β-D-galactopyranoside
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.20250201 | 1mg | Out of stock | 30 business days | Inquiry |
- Product code: ICTM2104
869107-36-8 / 6-(4-methoxyphenoxy)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-ol
Basic Information
CAS
869107-36-8
Multi CAS
Yes
Molecular Formula
C34H36O7
Molecular Weight
556.600000
Exact Mass
556.246103
InChI
InChI=1S/C34H36O7/c1-36-28-17-19-29(20-18-28)40-34-33(39-23-27-15-9-4-10-16-27)32(38-22-26-13-7-3-8-14-26)31(35)30(41-34)24-37-21-25-11-5-2-6-12-25/h2-20,30-35H,21-24H2,1H3
InChIKey
VHXCUPOCGKUOOO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
41
Aromatic heavy atom count
24
Fraction Csp3
0.29
Rotatable bonds
13
H-bond acceptors
7
H-bond donors
1
Molar refractivity
154.43
TPSA
75.61
LogP / Solubility
WLOGP
5.55
MLOGP
4.92
XLogP3
5.3
Consensus LogP
5.26
Log S (ESOL)
-6.36
Class (ESOL)
Insoluble
Log S (Ali)
-8.13
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.44
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
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)
-2.18
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.56
Leadlikeness
No
Synthetic Accessibility
7.5
Customers Also Viewed
-
-
-
-
4-Methoxyphenyl 3-O-Benzyl-β-D-galactopyranoside
- CAS RN: 383905-60-0
- Product Code: SSC-146021
-
4-Methoxyphenyl 4,6-O-Benzylidene-β-D-galactopyranoside
- CAS RN: 176299-96-0
- Product Code: ICTM1710
-
2,3,4,6-Tetra-O-acetyl-α-D-galactopyranosyl 2,2,2-Trichloroacetimidate
- CAS RN: 86520-63-0
- Product Code: SSC-195662
