Taurocholicacid
TL;DR: Taurocholicacid (CAS 81-24-3) is a chemical compound with molecular formula C26H45NO7S and molecular weight 515.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(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)pentanoylamino]ethanesulfonic acid
Also Known As: Taurocholicacid, TAUROCHOLIC ACID, N-cholyltaurine, Taurocholic Acid-d4, Tauroallocholic acid
| Molecular Formula | C26H45NO7S |
|---|---|
| Molecular Weight | 515.29 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 153.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 515.2917 |
| Heavy Atoms | 35 |
| Complexity | 891.0 |
Chemical Identifiers
| CAS Number | 81-24-3 |
|---|---|
| SMILES | CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C |
| InChIKey | WBWWGRHZICKQGZ-UHFFFAOYSA-N |
Product Overview
Taurocholicacid (CAS 81-24-3), with molecular formula C26H45NO7S and molecular weight 515.29 g/mol. IUPAC: 2-[4-(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)pentanoylamino]ethanesulfonic acid.
Chemical Property Profile of Taurocholicacid
Property Insights of Taurocholicacid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Taurocholicacid. The TPSA of 153.0 Ų indicates high polarity, suggesting Taurocholicacid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Taurocholicacid has 5 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Taurocholicacid?
The CAS number of Taurocholicacid is 81-24-3.
What is the molecular formula of Taurocholicacid?
The molecular formula of Taurocholicacid is C26H45NO7S.
What is the molecular weight of Taurocholicacid?
The molecular weight of Taurocholicacid is 515.29 g/mol.
Where can I buy Taurocholicacid?
You can request a quote for Taurocholicacid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Taurocholicacid?
Yes, KEHONG BIO provides custom synthesis services for Taurocholicacid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.