Chenodeoxycholic acid disulfate
TL;DR: Chenodeoxycholic acid disulfate (CAS 60262-91-1) is a chemical compound with molecular formula C24H40O10S2 and molecular weight 552.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R)-4-[(3R,5S,7R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7-disulfooxy-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: Chenodeoxycholic acid disulfate, (4R)-4-[(3R,5S,7R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7-disulfooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid, Cholan-24-oic acid, 3,7-bis(sulfooxy)-, (3-.alpha., 5-.beta., 7-.alpha.)-
| Molecular Formula | C24H40O10S2 |
|---|---|
| Molecular Weight | 552.21 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 181.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 552.2063 |
| Heavy Atoms | 36 |
| Complexity | 1050.0 |
Chemical Identifiers
| CAS Number | 60262-91-1 |
|---|---|
| SMILES | C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)OS(=O)(=O)O)C)OS(=O)(=O)O)C |
| InChIKey | BWXSDJHAJWTEAD-LIPUCWBFSA-N |
Product Overview
Chenodeoxycholic acid disulfate (CAS 60262-91-1), with molecular formula C24H40O10S2 and molecular weight 552.21 g/mol. IUPAC: (4R)-4-[(3R,5S,7R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7-disulfooxy-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 Chenodeoxycholic acid disulfate
Property Insights of Chenodeoxycholic acid disulfate
The XLogP value of 4.2 indicates that Chenodeoxycholic acid disulfate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 181.0 Ų indicates high polarity, suggesting Chenodeoxycholic acid disulfate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Chenodeoxycholic acid disulfate has 3 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Chenodeoxycholic acid disulfate?
The CAS number of Chenodeoxycholic acid disulfate is 60262-91-1.
What is the molecular formula of Chenodeoxycholic acid disulfate?
The molecular formula of Chenodeoxycholic acid disulfate is C24H40O10S2.
What is the molecular weight of Chenodeoxycholic acid disulfate?
The molecular weight of Chenodeoxycholic acid disulfate is 552.21 g/mol.
Where can I buy Chenodeoxycholic acid disulfate?
You can request a quote for Chenodeoxycholic acid disulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chenodeoxycholic acid disulfate?
Yes, KEHONG BIO provides custom synthesis services for Chenodeoxycholic acid disulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.