3,7,12-Trihydroxy-5-cholenoic acid
TL;DR: 3,7,12-Trihydroxy-5-cholenoic acid (CAS 108906-88-3) is a chemical compound with molecular formula C24H38O5 and molecular weight 406.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R)-4-[(3S,7S,8R,9S,10R,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
Also Known As: 3,7,12-Tca, 3,7,12-Trihydroxy-5-cholenoic acid, KST-1A0806, 3beta,7alpha,12alpha-Trihydroxy-5-cholenoic acid, 3beta,7alpha,12alpha-Trihydroxychol-5-en-24-oic Acid
| Molecular Formula | C24H38O5 |
|---|---|
| Molecular Weight | 406.27 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 98.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 406.2719 |
| Heavy Atoms | 29 |
| Complexity | 689.0 |
Chemical Identifiers
| CAS Number | 108906-88-3 |
|---|---|
| SMILES | C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C=C4[C@@]3(CC[C@@H](C4)O)C)O)O)C |
| InChIKey | NKRVAQNWPRPQDK-SZHOAPCDSA-N |
Product Overview
3,7,12-Trihydroxy-5-cholenoic acid (CAS 108906-88-3), with molecular formula C24H38O5 and molecular weight 406.27 g/mol. IUPAC: (4R)-4-[(3S,7S,8R,9S,10R,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid.
Chemical Property Profile of 3,7,12-Trihydroxy-5-cholenoic acid
Property Insights of 3,7,12-Trihydroxy-5-cholenoic acid
The XLogP value of 3.0 indicates that 3,7,12-Trihydroxy-5-cholenoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,7,12-Trihydroxy-5-cholenoic acid. Following Lipinski's Rule of Five, 3,7,12-Trihydroxy-5-cholenoic acid has 4 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,7,12-Trihydroxy-5-cholenoic acid?
The CAS number of 3,7,12-Trihydroxy-5-cholenoic acid is 108906-88-3.
What is the molecular formula of 3,7,12-Trihydroxy-5-cholenoic acid?
The molecular formula of 3,7,12-Trihydroxy-5-cholenoic acid is C24H38O5.
What is the molecular weight of 3,7,12-Trihydroxy-5-cholenoic acid?
The molecular weight of 3,7,12-Trihydroxy-5-cholenoic acid is 406.27 g/mol.
Where can I buy 3,7,12-Trihydroxy-5-cholenoic acid?
You can request a quote for 3,7,12-Trihydroxy-5-cholenoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,7,12-Trihydroxy-5-cholenoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,7,12-Trihydroxy-5-cholenoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.