N-Nitrosotaurocholic acid
TL;DR: N-Nitrosotaurocholic acid (CAS 87607-27-0) is a chemical compound with molecular formula C26H44N2O8S and molecular weight 544.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[nitroso-[(4R)-4-[(3R,5S,7R,10S,12S,13R,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]pentanoyl]amino]ethanesulfonic acid
Also Known As: N-Nitrosotaurocholic acid, 2-{nitroso[(3, A,5, A,7, A,8xi,9xi,12
| Molecular Formula | C26H44N2O8S |
|---|---|
| Molecular Weight | 544.28 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 173.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 544.28186 |
| Heavy Atoms | 37 |
| Complexity | 972.0 |
Chemical Identifiers
| CAS Number | 87607-27-0 |
|---|---|
| SMILES | C[C@H](CCC(=O)N(CCS(=O)(=O)O)N=O)[C@H]1CCC2[C@@]1([C@H](CC3C2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C |
| InChIKey | RGGOJLKORFRSHP-ZMEIFNLPSA-N |
Product Overview
N-Nitrosotaurocholic acid (CAS 87607-27-0), with molecular formula C26H44N2O8S and molecular weight 544.28 g/mol. IUPAC: 2-[nitroso-[(4R)-4-[(3R,5S,7R,10S,12S,13R,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]pentanoyl]amino]ethanesulfonic acid.
Chemical Property Profile of N-Nitrosotaurocholic acid
Property Insights of N-Nitrosotaurocholic acid
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Nitrosotaurocholic acid. The TPSA of 173.0 Ų indicates high polarity, suggesting N-Nitrosotaurocholic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-Nitrosotaurocholic acid has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-Nitrosotaurocholic acid?
The CAS number of N-Nitrosotaurocholic acid is 87607-27-0.
What is the molecular formula of N-Nitrosotaurocholic acid?
The molecular formula of N-Nitrosotaurocholic acid is C26H44N2O8S.
What is the molecular weight of N-Nitrosotaurocholic acid?
The molecular weight of N-Nitrosotaurocholic acid is 544.28 g/mol.
Where can I buy N-Nitrosotaurocholic acid?
You can request a quote for N-Nitrosotaurocholic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Nitrosotaurocholic acid?
Yes, KEHONG BIO provides custom synthesis services for N-Nitrosotaurocholic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.