3-Hydroxy-7-methylcholanoic acid
TL;DR: 3-Hydroxy-7-methylcholanoic acid (CAS 3514-07-6) is a chemical compound with molecular formula C25H42O3 and molecular weight 390.31 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,13R,14S,17R)-3-hydroxy-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: HMCA, 7-Methyllithocholic acid, 3-Hydroxy-7-methylcholanoic acid, 3-hydroxy-7-methylcholanoicacid, 3-Hydroxy-7-methylcholan-24-oic acid
| Molecular Formula | C25H42O3 |
|---|---|
| Molecular Weight | 390.31 g/mol |
| LogP | 6.5 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 390.3134 |
| Heavy Atoms | 28 |
| Complexity | 603.0 |
Chemical Identifiers
| CAS Number | 3514-07-6 |
|---|---|
| SMILES | CC1C[C@@H]2C[C@@H](CC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@@H]([C@]4(CC3)C)[C@H](C)CCC(=O)O)C)O |
| InChIKey | VUKZWUYSEFVTRB-OSWZUBHSSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Hydroxy-7-methylcholanoic acid (CAS 3514-07-6), with molecular formula C25H42O3 and molecular weight 390.31 g/mol. IUPAC: (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-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 3-Hydroxy-7-methylcholanoic acid
Property Insights of 3-Hydroxy-7-methylcholanoic acid
The XLogP value of 6.5 indicates that 3-Hydroxy-7-methylcholanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, 3-Hydroxy-7-methylcholanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hydroxy-7-methylcholanoic acid has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Hydroxy-7-methylcholanoic acid?
The CAS number of 3-Hydroxy-7-methylcholanoic acid is 3514-07-6.
What is the molecular formula of 3-Hydroxy-7-methylcholanoic acid?
The molecular formula of 3-Hydroxy-7-methylcholanoic acid is C25H42O3.
What is the molecular weight of 3-Hydroxy-7-methylcholanoic acid?
The molecular weight of 3-Hydroxy-7-methylcholanoic acid is 390.31 g/mol.
Where can I buy 3-Hydroxy-7-methylcholanoic acid?
You can request a quote for 3-Hydroxy-7-methylcholanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxy-7-methylcholanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxy-7-methylcholanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.