7-磺基胆酸
TL;DR: 7-磺基胆酸 (CAS 60320-05-0) is a chemical compound with molecular formula C24H40O8S and molecular weight 488.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-磺基胆酸
(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-7-sulfooxy-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: 7-Sulfocholic acid, Cholic acid 7-sulfate, sulfocholic acid, 7-Sulfocholate, cholic acid-7-sulfate
| Molecular Formula | C24H40O8S |
|---|---|
| Molecular Weight | 488.24 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 150.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 488.2444 |
| Heavy Atoms | 33 |
| Complexity | 855.0 |
Chemical Identifiers
| CAS Number | 60320-05-0 |
|---|---|
| SMILES | C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)OS(=O)(=O)O)O)C |
| InChIKey | RRVLNNMINXAIKC-OELDTZBJSA-N |
Product Overview
7-磺基胆酸 (CAS 60320-05-0), with molecular formula C24H40O8S and molecular weight 488.24 g/mol. IUPAC: (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-7-sulfooxy-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 7-磺基胆酸
Property Insights of 7-磺基胆酸
The XLogP value of 3.2 indicates that 7-磺基胆酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 150.0 Ų indicates high polarity, suggesting 7-磺基胆酸 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 7-磺基胆酸 has 4 hydrogen bond donor(s) and 8 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 7-磺基胆酸?
The CAS number of 7-磺基胆酸 is 60320-05-0.
What is the molecular formula of 7-磺基胆酸?
The molecular formula of 7-磺基胆酸 is C24H40O8S.
What is the molecular weight of 7-磺基胆酸?
The molecular weight of 7-磺基胆酸 is 488.24 g/mol.
Where can I buy 7-磺基胆酸?
You can request a quote for 7-磺基胆酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-磺基胆酸?
Yes, KEHONG BIO provides custom synthesis services for 7-磺基胆酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.