CAS RN: 771493-42-6
(-)-6beta-Hydroxy-5beta,8beta,9beta,10alpha-cleroda-3,13-dien-16,15-olid-18-oic acid
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.20250306 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS771493-42-6
- Purity/Analytical Methods: >99.0%
771493-42-6 / (4aS,5R,6S,8R,8aS)-8-hydroxy-5,6,8a-trimethyl-5-[2-(5-oxo-2H-furan-4-yl)ethyl]-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid
Basic Information
CAS
771493-42-6
Multi CAS
Yes
Molecular Formula
C20H28O5
Molecular Weight
348.400000
Exact Mass
348.193674
InChI
InChI=1S/C20H28O5/c1-12-11-16(21)20(3)14(17(22)23)5-4-6-15(20)19(12,2)9-7-13-8-10-25-18(13)24/h5,8,12,15-16,21H,4,6-7,9-11H2,1-3H3,(H,22,23)/t12-,15-,16+,19+,20+/m0/s1
InChIKey
VIZZFMPBFLWOFS-JUNANHINSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Fraction Csp3
0.7
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
92.72
TPSA
83.83
LogP / Solubility
WLOGP
3.08
MLOGP
2.73
XLogP3
3.5
Consensus LogP
3.1
Log S (ESOL)
-3.68
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.64
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.96
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
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)
-2.66
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
5
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