7-Methyldeoxycholic acid
TL;DR: 7-Methyldeoxycholic acid (CAS 109582-23-2) is a chemical compound with molecular formula C25H42O4 and molecular weight 406.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S)-3,12-dihydroxy-7,10,13-trimethyl-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: 7-Methyldeoxycholic acid, 7-Me-Dca, 3,12-Dihydroxy-7-methylcholan-24-oic acid, 3alpha,12alpha-Dihydroxy-7-xi-methyl-5beta-cholanoic acid, (4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S)-3,12-dihydroxy-7,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
| Molecular Formula | C25H42O4 |
|---|---|
| Molecular Weight | 406.31 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 406.30832 |
| Heavy Atoms | 29 |
| Complexity | 634.0 |
Chemical Identifiers
| CAS Number | 109582-23-2 |
|---|---|
| SMILES | CC1C[C@@H]2C[C@@H](CC[C@@]2([C@@H]3[C@@H]1[C@@H]4CCC([C@]4([C@H](C3)O)C)[C@H](C)CCC(=O)O)C)O |
| InChIKey | UTDFMMXQANBWNX-CWUPUNKTSA-N |
Product Overview
7-Methyldeoxycholic acid (CAS 109582-23-2), with molecular formula C25H42O4 and molecular weight 406.31 g/mol. IUPAC: (4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S)-3,12-dihydroxy-7,10,13-trimethyl-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 7-Methyldeoxycholic acid
Property Insights of 7-Methyldeoxycholic acid
The XLogP value of 5.2 indicates that 7-Methyldeoxycholic 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 7-Methyldeoxycholic acid. Following Lipinski's Rule of Five, 7-Methyldeoxycholic 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 7-Methyldeoxycholic acid?
The CAS number of 7-Methyldeoxycholic acid is 109582-23-2.
What is the molecular formula of 7-Methyldeoxycholic acid?
The molecular formula of 7-Methyldeoxycholic acid is C25H42O4.
What is the molecular weight of 7-Methyldeoxycholic acid?
The molecular weight of 7-Methyldeoxycholic acid is 406.31 g/mol.
Where can I buy 7-Methyldeoxycholic acid?
You can request a quote for 7-Methyldeoxycholic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Methyldeoxycholic acid?
Yes, KEHONG BIO provides custom synthesis services for 7-Methyldeoxycholic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.