3alpha,6alpha-Dihydroxycholanic acid
TL;DR: 3alpha,6alpha-Dihydroxycholanic acid (CAS 570-84-3) 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.
4-(3,6-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: HYODEOXYCHOLIC ACID, Murocholic acid, Hyodeoxycholic, Hyodesoxycholic acid, Murideoxycholic acid
| Molecular Formula | C24H40O4 |
|---|---|
| Molecular Weight | 392.29 g/mol |
| LogP | 4.9 |
| 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 | 570-84-3 |
|---|---|
| SMILES | CC(CCC(=O)O)C1CCC2C1(CCC3C2CC(C4C3(CCC(C4)O)C)O)C |
| InChIKey | DGABKXLVXPYZII-UHFFFAOYSA-N |
Product Overview
3alpha,6alpha-Dihydroxycholanic acid (CAS 570-84-3), with molecular formula C24H40O4 and molecular weight 392.29 g/mol. IUPAC: 4-(3,6-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 3alpha,6alpha-Dihydroxycholanic acid
Property Insights of 3alpha,6alpha-Dihydroxycholanic acid
The XLogP value of 4.9 indicates that 3alpha,6alpha-Dihydroxycholanic 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 3alpha,6alpha-Dihydroxycholanic acid. Following Lipinski's Rule of Five, 3alpha,6alpha-Dihydroxycholanic acid has 3 hydrogen bond donor(s) and 4 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 3alpha,6alpha-Dihydroxycholanic acid?
The CAS number of 3alpha,6alpha-Dihydroxycholanic acid is 570-84-3.
What is the molecular formula of 3alpha,6alpha-Dihydroxycholanic acid?
The molecular formula of 3alpha,6alpha-Dihydroxycholanic acid is C24H40O4.
What is the molecular weight of 3alpha,6alpha-Dihydroxycholanic acid?
The molecular weight of 3alpha,6alpha-Dihydroxycholanic acid is 392.29 g/mol.
Where can I buy 3alpha,6alpha-Dihydroxycholanic acid?
You can request a quote for 3alpha,6alpha-Dihydroxycholanic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3alpha,6alpha-Dihydroxycholanic acid?
Yes, KEHONG BIO provides custom synthesis services for 3alpha,6alpha-Dihydroxycholanic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.