CAS RN: 19402-33-6
8,13(15)-Abietadienoic 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.20250430 | 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS19402-33-6
- Purity/Analytical Methods: >99.0%
19402-33-6 / (1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-ylidene-3,4,5,6,8,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid
Basic Information
CAS
19402-33-6
Multi CAS
No
Molecular Formula
C20H30O2
Molecular Weight
302.500000
Exact Mass
302.224580
SMILES
CC(=C1CCC2=C(C1)CC[C@@H]3[C@@]2(CCC[C@@]3(C)C(=O)O)C)C
InChI
InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h17H,5-12H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1
InChIKey
SYMPSTMTYSPKHY-MISYRCLQSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Fraction Csp3
0.75
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
89.68
TPSA
37.3
LogP / Solubility
WLOGP
5.49
MLOGP
4.85
XLogP3
4.6
Consensus LogP
4.98
Log S (ESOL)
-5.11
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.01
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.31
Class (SILICOS-IT)
Insoluble
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)
-0.66
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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- CAS RN: 19406-00-9
- Product Code: SSC-091649
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