CAS RN: 63139-16-2
Withanolides
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.20260629 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS63139-16-2
- Purity/Analytical Methods: >99.0%
63139-16-2 / 2-[1-hydroxy-1-(5,6,14,17-tetrahydroxy-10,13-dimethyl-1-oxo-6,7,8,9,11,12,15,16-octahydro-4H-cyclopenta[a]phenanthren-17-yl)ethyl]-4,5-dimethyl-2,3-dihydropyran-6-one
Basic Information
CAS
63139-16-2
Multi CAS
Yes
Molecular Formula
C28H40O8
Molecular Weight
504.600000
Exact Mass
504.272318
InChI
InChI=1S/C28H40O8/c1-15-13-21(36-22(31)16(15)2)25(5,32)28(35)12-11-26(33)18-14-20(30)27(34)9-6-7-19(29)24(27,4)17(18)8-10-23(26,28)3/h6-7,17-18,20-21,30,32-35H,8-14H2,1-5H3/t17-,18+,20+,21+,23-,24-,25-,26+,27-,28-/m0/s1
InChIKey
PQZVBIJEPVKNOZ-PCLZMVHQSA-N
Computed Properties
Structural Parameters
Heavy atom count
36
Fraction Csp3
0.79
Rotatable bonds
2
H-bond acceptors
8
H-bond donors
5
Molar refractivity
129.39
TPSA
144.52
LogP / Solubility
WLOGP
1.71
MLOGP
1.54
XLogP3
0.8
Consensus LogP
1.35
Log S (ESOL)
-3.91
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.93
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.6
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
Low
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)
-4.58
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
10
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