牛磺甘氨胆酸
TL;DR: 牛磺甘氨胆酸 (CAS 26198-66-3) is a chemical compound with molecular formula C28H48N2O8S and molecular weight 572.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
牛磺甘氨胆酸
2-[[2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,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]pentanoyl]amino]acetyl]amino]ethanesulfonic acid
Also Known As: Glycotaurocholic acid, Tauroglycocholic Acid, tauroglycocholate, Ethanesulfonic acid, 2-(((((3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl)amino)acetyl)amino)-, ETHANESULFONIC ACID, 2-(((((3.ALPHA.,5.BETA.,7.ALPHA.,12.ALPHA.)-3,7,12-TRIHYDROXY-24-OXOCHOLAN-24-YL)AMINO)ACETYL)AMINO)-
| Molecular Formula | C28H48N2O8S |
|---|---|
| Molecular Weight | 572.31 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 182.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 572.3131 |
| Heavy Atoms | 39 |
| Complexity | 1020.0 |
Chemical Identifiers
| CAS Number | 26198-66-3 |
|---|---|
| SMILES | C[C@H](CCC(=O)NCC(=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 |
| InChIKey | URJQSMIFSMHWSP-VVHBOOHCSA-N |
Product Overview
牛磺甘氨胆酸 (CAS 26198-66-3), with molecular formula C28H48N2O8S and molecular weight 572.31 g/mol. IUPAC: 2-[[2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,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]pentanoyl]amino]acetyl]amino]ethanesulfonic acid.
Chemical Property Profile of 牛磺甘氨胆酸
Property Insights of 牛磺甘氨胆酸
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 牛磺甘氨胆酸. The TPSA of 182.0 Ų indicates high polarity, suggesting 牛磺甘氨胆酸 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 牛磺甘氨胆酸 has 6 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 牛磺甘氨胆酸?
The CAS number of 牛磺甘氨胆酸 is 26198-66-3.
What is the molecular formula of 牛磺甘氨胆酸?
The molecular formula of 牛磺甘氨胆酸 is C28H48N2O8S.
What is the molecular weight of 牛磺甘氨胆酸?
The molecular weight of 牛磺甘氨胆酸 is 572.31 g/mol.
Where can I buy 牛磺甘氨胆酸?
You can request a quote for 牛磺甘氨胆酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 牛磺甘氨胆酸?
Yes, KEHONG BIO provides custom synthesis services for 牛磺甘氨胆酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.