石胆酸
TL;DR: 石胆酸 (CAS 434-13-9) is a chemical compound with molecular formula C24H40O3 and molecular weight 376.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
石胆酸
(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-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: LITHOCHOLIC ACID, Lithocolic acid, Lithocholate, 3alpha-Hydroxy-5beta-cholanic acid, Litocholic acid
| Molecular Formula | C24H40O3 |
|---|---|
| Molecular Weight | 376.30 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 376.29776 |
| Heavy Atoms | 27 |
| Complexity | 574.0 |
| Melting Point | 363 to 186.1 °C |
| Solubility | less than 1 mg/mL at 67.5 °F (NTP, 1992) |
Chemical Identifiers
| CAS Number | 434-13-9 |
|---|---|
| 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(CC[C@H](C4)O)C)C |
| InChIKey | SMEROWZSTRWXGI-HVATVPOCSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
石胆酸 (CAS 434-13-9), with molecular formula C24H40O3 and molecular weight 376.30 g/mol. IUPAC: (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-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 石胆酸
Property Insights of 石胆酸
The XLogP value of 6.3 indicates that 石胆酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, 石胆酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 石胆酸 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 石胆酸?
The CAS number of 石胆酸 is 434-13-9.
What is the molecular formula of 石胆酸?
The molecular formula of 石胆酸 is C24H40O3.
What is the molecular weight of 石胆酸?
The molecular weight of 石胆酸 is 376.30 g/mol.
Where can I buy 石胆酸?
You can request a quote for 石胆酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 石胆酸?
Yes, KEHONG BIO provides custom synthesis services for 石胆酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.