CAS RN: 142543-30-4
ent-13,16β,17-Trihydroxykauran-19-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.20250321 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS142543-30-4
- Purity/Analytical Methods: >99.0%
142543-30-4 / 13,14-dihydroxy-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
Basic Information
CAS
142543-30-4
Multi CAS
No
Molecular Formula
C20H32O5
Molecular Weight
352.500000
Exact Mass
352.224974
SMILES
CC12CCCC(C1CCC34C2CCC(C3)(C(C4)(CO)O)O)(C)C(=O)O
InChI
InChI=1S/C20H32O5/c1-16-6-3-7-17(2,15(22)23)13(16)4-8-18-10-19(24,9-5-14(16)18)20(25,11-18)12-21/h13-14,21,24-25H,3-12H2,1-2H3,(H,22,23)
InChIKey
BRULLYCOZJRREB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Fraction Csp3
0.95
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
4
Molar refractivity
91.8
TPSA
97.99
LogP / Solubility
WLOGP
2.32
MLOGP
2.06
XLogP3
2.7
Consensus LogP
2.36
Log S (ESOL)
-3.36
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.13
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.12
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.22
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
9.5
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