石胆酸牛磺酸结合物
TL;DR: 石胆酸牛磺酸结合物 (CAS 516-90-5) is a chemical compound with molecular formula C26H45NO5S and molecular weight 483.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
石胆酸牛磺酸结合物
2-[4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-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: Lithocholyltaurine, Tauroursodeoxycholic acid, TAUROLITHOCHOLIC ACID, Lithocholic acid taurine conjugate, Taurolithocholic acid (6CI,7CI)
| Molecular Formula | C26H45NO5S |
|---|---|
| Molecular Weight | 483.30 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 483.30185 |
| Heavy Atoms | 33 |
| Complexity | 825.0 |
Chemical Identifiers
| CAS Number | 516-90-5 |
|---|---|
| SMILES | CC(CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C |
| InChIKey | QBYUNVOYXHFVKC-JIOVCDOMSA-N |
Product Overview
石胆酸牛磺酸结合物 (CAS 516-90-5), with molecular formula C26H45NO5S and molecular weight 483.30 g/mol. IUPAC: 2-[4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-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 石胆酸牛磺酸结合物
Property Insights of 石胆酸牛磺酸结合物
The XLogP value of 4.9 indicates that 石胆酸牛磺酸结合物 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 石胆酸牛磺酸结合物. Following Lipinski's Rule of Five, 石胆酸牛磺酸结合物 has 3 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 石胆酸牛磺酸结合物?
The CAS number of 石胆酸牛磺酸结合物 is 516-90-5.
What is the molecular formula of 石胆酸牛磺酸结合物?
The molecular formula of 石胆酸牛磺酸结合物 is C26H45NO5S.
What is the molecular weight of 石胆酸牛磺酸结合物?
The molecular weight of 石胆酸牛磺酸结合物 is 483.30 g/mol.
Where can I buy 石胆酸牛磺酸结合物?
You can request a quote for 石胆酸牛磺酸结合物 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 石胆酸牛磺酸结合物?
Yes, KEHONG BIO provides custom synthesis services for 石胆酸牛磺酸结合物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.