![CAS 64421-27-8 (1S,7S)-1-(β-D-Glucopyranosyloxy)-1,4aα,5,6,7,7aα-hexahydro-7-hydroxy-7-methylcyclopenta[c]pyran-4-carboxylic acid methyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/64421-27-8.gif)
CAS RN: 64421-27-8
(1S,7S)-1-(β-D-Glucopyranosyloxy)-1,4aα,5,6,7,7aα-hexahydro-7-hydroxy-7-methylcyclopenta[c]pyran-4-carboxylic acid methyl ester
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20260327 | 5mg | Out of stock | Inquiry |
- Product code: starshine_CAS64421-27-8
- Purity/Analytical Methods: >99.0%
64421-27-8 / methyl (1S,4aS,7S,7aS)-7-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate
Basic Information
CAS
64421-27-8
Multi CAS
Yes
Molecular Formula
C17H26O10
Molecular Weight
390.400000
Exact Mass
390.152597
InChI
InChI=1S/C17H26O10/c1-17(23)4-3-7-8(14(22)24-2)6-25-15(10(7)17)27-16-13(21)12(20)11(19)9(5-18)26-16/h6-7,9-13,15-16,18-21,23H,3-5H2,1-2H3/t7-,9-,10-,11-,12+,13-,15+,16+,17+/m1/s1
InChIKey
XBGJTRDIWPEIMG-DUMNYRKASA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Fraction Csp3
0.82
Rotatable bonds
4
H-bond acceptors
10
H-bond donors
5
Molar refractivity
86.66
TPSA
155.14
LogP / Solubility
WLOGP
-2.01
MLOGP
-1.74
XLogP3
-1.6
Consensus LogP
-1.78
Log S (ESOL)
-0.73
Class (ESOL)
Very soluble
Log S (Ali)
-1.31
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.01
Class (SILICOS-IT)
Soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.53
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
7
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