CAS RN: 75829-66-2
(-)-(4,6-O-BENZYLIDENE)PHENYL-BETA-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.20250405 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS75829-66-2
- Purity/Analytical Methods: >99.0%
75829-66-2 / 6-phenoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
Basic Information
CAS
75829-66-2
Multi CAS
Yes
Molecular Formula
C19H20O6
Molecular Weight
344.400000
Exact Mass
344.125988
InChI
InChI=1S/C19H20O6/c20-15-16(21)19(23-13-9-5-2-6-10-13)24-14-11-22-18(25-17(14)15)12-7-3-1-4-8-12/h1-10,14-21H,11H2/t14-,15-,16-,17-,18?,19-/m1/s1
InChIKey
VEVONSHXUHYXKX-HIQCEYAYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.37
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
2
Molar refractivity
87.75
TPSA
77.38
LogP / Solubility
WLOGP
1.63
MLOGP
1.45
XLogP3
1.7
Consensus LogP
1.59
Log S (ESOL)
-3.16
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.56
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.61
Class (SILICOS-IT)
Poorly 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
Yes
Synthetic Accessibility
6
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