CAS RN: 67650-47-9
Clerodermic acid methyl ester
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.20250327 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS67650-47-9
- Purity/Analytical Methods: >99.0%
67650-47-9 / methyl 5,6,8a-trimethyl-5-[2-(5-oxo-2H-furan-3-yl)ethyl]-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylate
Basic Information
CAS
67650-47-9
Multi CAS
Yes
Molecular Formula
C21H30O4
Molecular Weight
346.500000
Exact Mass
346.214409
InChI
InChI=1S/C21H30O4/c1-14-8-10-21(3)16(19(23)24-4)6-5-7-17(21)20(14,2)11-9-15-12-18(22)25-13-15/h6,12,14,17H,5,7-11,13H2,1-4H3
InChIKey
ZAOFNJDVAJQRBK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Fraction Csp3
0.71
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
95.71
TPSA
52.6
LogP / Solubility
WLOGP
4.2
MLOGP
3.72
XLogP3
4.7
Consensus LogP
4.21
Log S (ESOL)
-4.37
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.43
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.88
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.85
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
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