Isodeoxycholic acid
TL;DR: Isodeoxycholic acid (CAS 63471-85-2) is a chemical compound with molecular formula C24H40O4 and molecular weight 392.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R)-4-[(5S,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
Also Known As: Isodeoxycholic acid, Isodeoxycholate, 3-Deoxycholic acid, isoDCA, 7a,12a-Dihydroxycholanoate
| Molecular Formula | C24H40O4 |
|---|---|
| Molecular Weight | 392.29 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 392.29266 |
| Heavy Atoms | 28 |
| Complexity | 605.0 |
Chemical Identifiers
| CAS Number | 63471-85-2 |
|---|---|
| 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[C@H]4[C@@]3(CCCC4)C)O)O)C |
| InChIKey | ZHCAAZIHTDCFJX-QLEQUTGBSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isodeoxycholic acid (CAS 63471-85-2), with molecular formula C24H40O4 and molecular weight 392.29 g/mol. IUPAC: (4R)-4-[(5S,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid.
Chemical Property Profile of Isodeoxycholic acid
Property Insights of Isodeoxycholic acid
The XLogP value of 5.3 indicates that Isodeoxycholic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Isodeoxycholic acid. Following Lipinski's Rule of Five, Isodeoxycholic acid has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Isodeoxycholic acid?
The CAS number of Isodeoxycholic acid is 63471-85-2.
What is the molecular formula of Isodeoxycholic acid?
The molecular formula of Isodeoxycholic acid is C24H40O4.
What is the molecular weight of Isodeoxycholic acid?
The molecular weight of Isodeoxycholic acid is 392.29 g/mol.
Where can I buy Isodeoxycholic acid?
You can request a quote for Isodeoxycholic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isodeoxycholic acid?
Yes, KEHONG BIO provides custom synthesis services for Isodeoxycholic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.