Tauroursodeoxycholic acid
TL;DR: Tauroursodeoxycholic acid (CAS 632-26-8) is a chemical compound with molecular formula C26H45NO6S and molecular weight 499.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(4R)-4-[(3R,5S,7S,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]pentanoyl]amino]ethanesulfonic acid
Also Known As: Tauroursodeoxycholic acid, Tauroursodeoxycholate, Taurursodiol, TUDCA, Ursodeoxycholyltaurine
| Molecular Formula | C26H45NO6S |
|---|---|
| Molecular Weight | 499.30 g/mol |
| LogP | 3.3973 |
| Topological Polar Surface Area | 123.93 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 499.29675 |
| Heavy Atoms | 34 |
| Complexity | 863.3522 |
Chemical Identifiers
| CAS Number | 632-26-8 |
|---|---|
| SMILES | C[C@H](CCC(=O)NCCS(=O)(=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 |
Product Overview
Tauroursodeoxycholic acid (CAS 632-26-8), with molecular formula C26H45NO6S and molecular weight 499.30 g/mol. IUPAC: 2-[[(4R)-4-[(3R,5S,7S,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]pentanoyl]amino]ethanesulfonic acid.
Chemical Property Profile of Tauroursodeoxycholic acid
Property Insights of Tauroursodeoxycholic acid
The XLogP value of 3.3973 indicates that Tauroursodeoxycholic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 123.93 Ų falls within the moderate polarity range, balancing permeability and solubility for Tauroursodeoxycholic acid. Following Lipinski's Rule of Five, Tauroursodeoxycholic acid has 4 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 Tauroursodeoxycholic acid?
The CAS number of Tauroursodeoxycholic acid is 632-26-8.
What is the molecular formula of Tauroursodeoxycholic acid?
The molecular formula of Tauroursodeoxycholic acid is C26H45NO6S.
What is the molecular weight of Tauroursodeoxycholic acid?
The molecular weight of Tauroursodeoxycholic acid is 499.30 g/mol.
Where can I buy Tauroursodeoxycholic acid?
You can request a quote for Tauroursodeoxycholic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tauroursodeoxycholic acid?
Yes, KEHONG BIO provides custom synthesis services for Tauroursodeoxycholic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.