3-氧代-5β-胆烷-24-酸
TL;DR: 3-氧代-5β-胆烷-24-酸 (CAS 19160-26-0) is a chemical compound with molecular formula C24H38O3 and molecular weight 374.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-氧代-5β-胆烷-24-酸
(4R)-4-[(5R,8R,9S,10S,13R,14S,17S)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
Also Known As: 3-Oxocholanic acid, Dehydro-LCA, Dehydrolithocholic acid, 3-Oxolithocholic acid, 3-Ketolithocholic acid
| Molecular Formula | C24H38O3 |
|---|---|
| Molecular Weight | 374.28 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 374.2821 |
| Heavy Atoms | 27 |
| Complexity | 613.0 |
Chemical Identifiers
| CAS Number | 19160-26-0 |
|---|---|
| SMILES | C[C@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CCC(=O)C4)C)C |
| InChIKey | KIQFUORWRVZTHT-MRBXEDHFSA-N |
Product Overview
3-氧代-5β-胆烷-24-酸 (CAS 19160-26-0), with molecular formula C24H38O3 and molecular weight 374.28 g/mol. IUPAC: (4R)-4-[(5R,8R,9S,10S,13R,14S,17S)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid.
Chemical Property Profile of 3-氧代-5β-胆烷-24-酸
Property Insights of 3-氧代-5β-胆烷-24-酸
The XLogP value of 5.8 indicates that 3-氧代-5β-胆烷-24-酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, 3-氧代-5β-胆烷-24-酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-氧代-5β-胆烷-24-酸 has 1 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-氧代-5β-胆烷-24-酸?
The CAS number of 3-氧代-5β-胆烷-24-酸 is 19160-26-0.
What is the molecular formula of 3-氧代-5β-胆烷-24-酸?
The molecular formula of 3-氧代-5β-胆烷-24-酸 is C24H38O3.
What is the molecular weight of 3-氧代-5β-胆烷-24-酸?
The molecular weight of 3-氧代-5β-胆烷-24-酸 is 374.28 g/mol.
Where can I buy 3-氧代-5β-胆烷-24-酸?
You can request a quote for 3-氧代-5β-胆烷-24-酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-氧代-5β-胆烷-24-酸?
Yes, KEHONG BIO provides custom synthesis services for 3-氧代-5β-胆烷-24-酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.