CAS RN: 1039673-32-9
15-r-14-oxolabda-8(17),12-dien-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.20250609 | 1mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1039673-32-9
- Purity/Analytical Methods: >99.0%
1039673-32-9 / (1R,4aR,5S,8aR)-1,4a-dimethyl-6-methylidene-5-[(E)-3-methyl-4-oxobut-2-enyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
PRB67332
Basic Information
CAS
1039673-32-9
Multi CAS
Yes
Molecular Formula
C19H28O3
Molecular Weight
304.400000
Exact Mass
304.203845
SMILES
C/C(=C\C[C@H]1C(=C)CC[C@@H]2[C@@]1(CCC[C@@]2(C)C(=O)O)C)/C=O
InChI
InChI=1S/C19H28O3/c1-13(12-20)6-8-15-14(2)7-9-16-18(15,3)10-5-11-19(16,4)17(21)22/h6,12,15-16H,2,5,7-11H2,1,3-4H3,(H,21,22)/b13-6+/t15-,16+,18+,19+/m0/s1
InChIKey
NBGCWDAYASHSEK-YDZYAZLNSA-N
Synonyms
PRB67332
Computed Properties
Structural Parameters
Heavy atom count
22
Fraction Csp3
0.68
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
87.49
TPSA
54.37
LogP / Solubility
WLOGP
4.39
MLOGP
3.87
XLogP3
3.9
Consensus LogP
4.05
Log S (ESOL)
-4.23
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.22
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.76
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)
-1.46
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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