去氢胆酸
TL;DR: 去氢胆酸 (CAS 81-23-2) is a chemical compound with molecular formula C24H34O5 and molecular weight 402.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
去氢胆酸
4-(10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)pentanoic acid
Also Known As: dehydrocholic acid, 3,7,12-Trioxocholan-24-oic acid, Maybridge3_002984, Purified dehydrocholic acid, cholan-24-oic acid, 3,7,12-trioxo-
| Molecular Formula | C24H34O5 |
|---|---|
| Molecular Weight | 402.24 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 88.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 402.24063 |
| Heavy Atoms | 29 |
| Complexity | 756.0 |
Chemical Identifiers
| CAS Number | 81-23-2 |
|---|---|
| SMILES | CC(CCC(=O)O)C1CCC2C1(C(=O)CC3C2C(=O)CC4C3(CCC(=O)C4)C)C |
| InChIKey | OHXPGWPVLFPUSM-UHFFFAOYSA-N |
Product Overview
去氢胆酸 (CAS 81-23-2), with molecular formula C24H34O5 and molecular weight 402.24 g/mol. IUPAC: 4-(10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)pentanoic acid.
Chemical Property Profile of 去氢胆酸
Property Insights of 去氢胆酸
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 去氢胆酸. The TPSA of 88.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 去氢胆酸. Following Lipinski's Rule of Five, 去氢胆酸 has 1 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 去氢胆酸?
The CAS number of 去氢胆酸 is 81-23-2.
What is the molecular formula of 去氢胆酸?
The molecular formula of 去氢胆酸 is C24H34O5.
What is the molecular weight of 去氢胆酸?
The molecular weight of 去氢胆酸 is 402.24 g/mol.
Where can I buy 去氢胆酸?
You can request a quote for 去氢胆酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 去氢胆酸?
Yes, KEHONG BIO provides custom synthesis services for 去氢胆酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.