Chenodeoxycholate sulfate conjugate
TL;DR: Chenodeoxycholate sulfate conjugate (CAS 39280-88-1) is a chemical compound with molecular formula C24H42O8S and molecular weight 490.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-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;sulfuric acid
Also Known As: CDCS, Chenodeoxycholate 3-sulphate, Chenodeoxycholic acid sulfate, Chenodeoxycholic acid 3-sulfate, Chenodeoxycholate sulfate conjugate
| Molecular Formula | C24H42O8S |
|---|---|
| Molecular Weight | 490.26 g/mol |
| LogP | 3.8251 |
| Topological Polar Surface Area | 152.36 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 490.26004 |
| Heavy Atoms | 33 |
| Complexity | 807.28186 |
Chemical Identifiers
| CAS Number | 39280-88-1 |
|---|---|
| SMILES | C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C.OS(=O)(=O)O |
Product Overview
Chenodeoxycholate sulfate conjugate (CAS 39280-88-1), with molecular formula C24H42O8S and molecular weight 490.26 g/mol. IUPAC: (4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-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;sulfuric acid.
Chemical Property Profile of Chenodeoxycholate sulfate conjugate
Property Insights of Chenodeoxycholate sulfate conjugate
The XLogP value of 3.8251 indicates that Chenodeoxycholate sulfate conjugate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 152.36 Ų indicates high polarity, suggesting Chenodeoxycholate sulfate conjugate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Chenodeoxycholate sulfate conjugate has 5 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 Chenodeoxycholate sulfate conjugate?
The CAS number of Chenodeoxycholate sulfate conjugate is 39280-88-1.
What is the molecular formula of Chenodeoxycholate sulfate conjugate?
The molecular formula of Chenodeoxycholate sulfate conjugate is C24H42O8S.
What is the molecular weight of Chenodeoxycholate sulfate conjugate?
The molecular weight of Chenodeoxycholate sulfate conjugate is 490.26 g/mol.
Where can I buy Chenodeoxycholate sulfate conjugate?
You can request a quote for Chenodeoxycholate sulfate conjugate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chenodeoxycholate sulfate conjugate?
Yes, KEHONG BIO provides custom synthesis services for Chenodeoxycholate sulfate conjugate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.