CAS RN: 40433-82-7
pinusolidic 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.20250222 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS40433-82-7
- Purity/Analytical Methods: >99.0%
40433-82-7 / 1,4a-dimethyl-6-methylidene-5-[2-(5-oxo-2H-furan-4-yl)ethyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
Basic Information
CAS
40433-82-7
Multi CAS
Yes
Molecular Formula
C20H28O4
Molecular Weight
332.400000
Exact Mass
332.198759
InChI
InChI=1S/C20H28O4/c1-13-5-8-16-19(2,10-4-11-20(16,3)18(22)23)15(13)7-6-14-9-12-24-17(14)21/h9,15-16H,1,4-8,10-12H2,2-3H3,(H,22,23)/t15-,16+,19+,20-/m0/s1
InChIKey
FHQSDRHZGCMBKG-FIYPYCPBSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Fraction Csp3
0.7
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
91.33
TPSA
63.6
LogP / Solubility
WLOGP
4.11
MLOGP
3.64
XLogP3
4.1
Consensus LogP
3.95
Log S (ESOL)
-4.23
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.26
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.71
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)
-1.83
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
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