CAS RN: 949172-13-8
Withaphysalin S
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.20250511 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS949172-13-8
- Purity/Analytical Methods: >99.0%
949172-13-8 / (1R,2S,3S,5S,6R,8S,9R,12S,13R,18R,19R)-6-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-3,18,19-trihydroxy-8-methoxy-6,13-dimethyl-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icos-15-en-14-one
Basic Information
CAS
949172-13-8
Multi CAS
No
Molecular Formula
C29H40O8
Molecular Weight
516.600000
Exact Mass
516.272318
InChI
InChI=1S/C29H40O8/c1-14-11-22(36-24(33)15(14)2)27(4)19-13-18(30)23-16-12-21(32)29(34)9-6-7-20(31)26(29,3)17(16)8-10-28(19,23)25(35-5)37-27/h6-7,16-19,21-23,25,30,32,34H,8-13H2,1-5H3/t16-,17+,18+,19-,21-,22-,23-,25+,26+,27-,28+,29+/m1/s1
InChIKey
NPXYPNIBFMPFKU-IIODSFQOSA-N
Computed Properties
Structural Parameters
Heavy atom count
37
Fraction Csp3
0.79
Rotatable bonds
2
H-bond acceptors
8
H-bond donors
3
Molar refractivity
131.85
TPSA
122.52
LogP / Solubility
WLOGP
2.44
MLOGP
2.19
XLogP3
1.7
Consensus LogP
2.11
Log S (ESOL)
-4.45
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.56
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.28
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.14
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
10
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