Ursodeoxycholylcysteic acid
TL;DR: Ursodeoxycholylcysteic acid (CAS 139-24-2) is a chemical compound with molecular formula C29H47NO7S and molecular weight 553.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-3-(carboxymethylsulfanyl)-2-[[(4R)-4-[(3R,5S,7S,10S,13R,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]pentanoyl]amino]propanoic acid
Also Known As: Udc-cysa, Ursodeoxycholylcysteic acid, S-(Carboxymethyl)-N-(3,7,24-trihydroxycholan-24-ylidene)cysteine, (2R)-3-(carboxymethylsulfanyl)-2-[[(4R)-4-[(3R,5S,7S,10S,13R,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]pentanoyl]amino]propanoic acid, s-(carboxymethyl)-n-[(3
| Molecular Formula | C29H47NO7S |
|---|---|
| Molecular Weight | 553.31 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 169.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 553.3073 |
| Heavy Atoms | 38 |
| Complexity | 900.0 |
Chemical Identifiers
| CAS Number | 139-24-2 |
|---|---|
| SMILES | C[C@H](CCC(=O)N[C@@H](CSCC(=O)O)C(=O)O)[C@H]1CCC2[C@@]1(CCC3C2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C |
| InChIKey | ZWSORXOIMLQGIS-JSFYCSFPSA-N |
Product Overview
Ursodeoxycholylcysteic acid (CAS 139-24-2), with molecular formula C29H47NO7S and molecular weight 553.31 g/mol. IUPAC: (2R)-3-(carboxymethylsulfanyl)-2-[[(4R)-4-[(3R,5S,7S,10S,13R,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]pentanoyl]amino]propanoic acid.
Chemical Property Profile of Ursodeoxycholylcysteic acid
Property Insights of Ursodeoxycholylcysteic acid
The XLogP value of 4.5 indicates that Ursodeoxycholylcysteic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 169.0 Ų indicates high polarity, suggesting Ursodeoxycholylcysteic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ursodeoxycholylcysteic acid has 5 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ursodeoxycholylcysteic acid?
The CAS number of Ursodeoxycholylcysteic acid is 139-24-2.
What is the molecular formula of Ursodeoxycholylcysteic acid?
The molecular formula of Ursodeoxycholylcysteic acid is C29H47NO7S.
What is the molecular weight of Ursodeoxycholylcysteic acid?
The molecular weight of Ursodeoxycholylcysteic acid is 553.31 g/mol.
Where can I buy Ursodeoxycholylcysteic acid?
You can request a quote for Ursodeoxycholylcysteic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ursodeoxycholylcysteic acid?
Yes, KEHONG BIO provides custom synthesis services for Ursodeoxycholylcysteic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.