Tauroselcholic Acid
TL;DR: Tauroselcholic Acid (CAS 75018-71-2) is a chemical compound with molecular formula C26H45NO7SSe and molecular weight 595.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-[(2S)-2-[(3R,5S,7R,8R,9S,10S,12S,13S,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl]selanylacetyl]amino]ethanesulfonic acid
Also Known As: Tauroselcholic acid, SeHCAT, acido tauroselcolico, acide tauroselcholique, acidum tauroselcholicum
| Molecular Formula | C26H45NO7SSe |
|---|---|
| Molecular Weight | 595.21 g/mol |
| LogP | 2.1287 |
| Topological Polar Surface Area | 144.16 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 595.2082 |
| Heavy Atoms | 36 |
| Complexity | 917.96875 |
Chemical Identifiers
| CAS Number | 75018-71-2 |
|---|---|
| SMILES | C[C@H](C[Se]CC(=O)NCCS(=O)(=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)O)O)C |
Product Overview
Tauroselcholic Acid (CAS 75018-71-2), with molecular formula C26H45NO7SSe and molecular weight 595.21 g/mol. IUPAC: 2-[[2-[(2S)-2-[(3R,5S,7R,8R,9S,10S,12S,13S,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl]selanylacetyl]amino]ethanesulfonic acid.
Chemical Property Profile of Tauroselcholic Acid
Property Insights of Tauroselcholic Acid
The XLogP value of 2.1287 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tauroselcholic Acid. The TPSA of 144.16 Ų indicates high polarity, suggesting Tauroselcholic Acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Tauroselcholic Acid has 5 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Tauroselcholic Acid?
The CAS number of Tauroselcholic Acid is 75018-71-2.
What is the molecular formula of Tauroselcholic Acid?
The molecular formula of Tauroselcholic Acid is C26H45NO7SSe.
What is the molecular weight of Tauroselcholic Acid?
The molecular weight of Tauroselcholic Acid is 595.21 g/mol.
Where can I buy Tauroselcholic Acid?
You can request a quote for Tauroselcholic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tauroselcholic Acid?
Yes, KEHONG BIO provides custom synthesis services for Tauroselcholic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.