CAS RN: 40983-95-7
BENZYL 2-O-BENZYL-4,6-O-BENZYLIDENE-ALPHA-D-MANNOPYRANOSIDE
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.20250122 | 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS40983-95-7
- Purity/Analytical Methods: >99.0%
40983-95-7 / 2-phenyl-6,7-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol
Basic Information
CAS
40983-95-7
Multi CAS
Yes
Molecular Formula
C27H28O6
Molecular Weight
448.500000
Exact Mass
448.188589
InChI
InChI=1S/C27H28O6/c28-23-24-22(18-31-26(33-24)21-14-8-3-9-15-21)32-27(30-17-20-12-6-2-7-13-20)25(23)29-16-19-10-4-1-5-11-19/h1-15,22-28H,16-18H2/t22-,23+,24-,25+,26?,27+/m1/s1
InChIKey
IJTAXRQQXZVWQA-FGUSILDQSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
18
Fraction Csp3
0.33
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
1
Molar refractivity
120.93
TPSA
66.38
LogP / Solubility
WLOGP
3.99
MLOGP
3.54
XLogP3
3.4
Consensus LogP
3.64
Log S (ESOL)
-5.08
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.12
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.73
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.62
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6.5
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