CAS RN: 64552-06-3
Methyl 4,6-O-benzylidene-alpha-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.20260313 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: LINM930014
64552-06-3 / (2S,4aR,6S,7R,8R,8aR)-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
Basic Information
CAS
64552-06-3
Multi CAS
No
Molecular Formula
C14H18O6
Molecular Weight
282.290000
Exact Mass
282.110338
InChI
InChI=1S/C14H18O6/c1-17-14-11(16)10(15)12-9(19-14)7-18-13(20-12)8-5-3-2-4-6-8/h2-6,9-16H,7H2,1H3/t9-,10-,11-,12+,13+,14+/m1/s1
InChIKey
VVSWDMJYIDBTMV-TVQXOTEMSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
2
Molar refractivity
67.69
TPSA
77.38
LogP / Solubility
WLOGP
0.19
MLOGP
0.18
XLogP3
-0.1
Consensus LogP
0.09
Log S (ESOL)
-1.8
Class (ESOL)
Soluble
Log S (Ali)
-2.01
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.9
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4.5
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