Hemulcholic acid
TL;DR: Hemulcholic acid (CAS 178979-33-4) is a chemical compound with molecular formula C24H40O5 and molecular weight 408.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Hemulcholic acid
(4S)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-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]-3-hydroxypentanoic acid
Also Known As: Hemulcholic acid, Haemulcholic acid, 3-bromo-6-phenyl-pyridazine, KST-1A2109, 3,7,22-trihydroxycholan-24-oic acid
| Molecular Formula | C24H40O5 |
|---|---|
| Molecular Weight | 408.29 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 98.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 408.28757 |
| Heavy Atoms | 29 |
| Complexity | 637.0 |
Chemical Identifiers
| CAS Number | 178979-33-4 |
|---|---|
| SMILES | C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C)C(CC(=O)O)O |
| InChIKey | IPSHXEXQGICLQN-KRRBZGEWSA-N |
Product Overview
Hemulcholic acid (CAS 178979-33-4), with molecular formula C24H40O5 and molecular weight 408.29 g/mol. IUPAC: (4S)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-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]-3-hydroxypentanoic acid.
Chemical Property Profile of Hemulcholic acid
Property Insights of Hemulcholic acid
The XLogP value of 3.9 indicates that Hemulcholic 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 Hemulcholic acid. Following Lipinski's Rule of Five, Hemulcholic 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 Hemulcholic acid?
The CAS number of Hemulcholic acid is 178979-33-4.
What is the molecular formula of Hemulcholic acid?
The molecular formula of Hemulcholic acid is C24H40O5.
What is the molecular weight of Hemulcholic acid?
The molecular weight of Hemulcholic acid is 408.29 g/mol.
Where can I buy Hemulcholic acid?
You can request a quote for Hemulcholic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hemulcholic acid?
Yes, KEHONG BIO provides custom synthesis services for Hemulcholic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.