CAS RN: 151561-88-5
ent-3-Oxokauran-17-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.20260213 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS151561-88-5
- Purity/Analytical Methods: >99.0%
151561-88-5 / (1S,4S,9S,10R,13R,14S)-5,5,9-trimethyl-6-oxotetracyclo[11.2.1.01,10.04,9]hexadecane-14-carboxylic acid
Basic Information
CAS
151561-88-5
Multi CAS
No
Molecular Formula
C20H30O3
Molecular Weight
318.400000
Exact Mass
318.219495
SMILES
C[C@@]12CCC(=O)C([C@H]1CC[C@]34[C@H]2CC[C@H](C3)[C@H](C4)C(=O)O)(C)C
InChI
InChI=1S/C20H30O3/c1-18(2)14-6-9-20-10-12(13(11-20)17(22)23)4-5-15(20)19(14,3)8-7-16(18)21/h12-15H,4-11H2,1-3H3,(H,22,23)
InChIKey
DFXNQVOKZMHGJK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Fraction Csp3
0.9
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
87.86
TPSA
54.37
LogP / Solubility
WLOGP
4.3
MLOGP
3.8
XLogP3
4.4
Consensus LogP
4.17
Log S (ESOL)
-4.46
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.28
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.42
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)
-1.61
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
9
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