3,5-四氢醛固酮硫酸酯
TL;DR: 3,5-四氢醛固酮硫酸酯 (CAS 121699-10-3) is a chemical compound with molecular formula C21H32O7S and molecular weight 428.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-四氢醛固酮硫酸酯
2-[(8S,9S,10S,11S,13S,14S,17R)-13-formyl-11-hydroxy-10-methyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethyl hydrogen sulfate
Also Known As: THAS, 3,5-Tetrahydroaldosterone sulfate, 11-Hydroxy-3,18-dioxopregnan-21-yl hydrogen sulfate, 2-[(8S,9S,10S,11S,13S,14S,17R)-13-formyl-11-hydroxy-10-methyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethyl hydrogen sulfate, 11beta-Hydroxy-3,18-dioxopregnan-21-yl hydrogen sulfate
| Molecular Formula | C21H32O7S |
|---|---|
| Molecular Weight | 428.19 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 428.1869 |
| Heavy Atoms | 29 |
| Complexity | 774.0 |
Chemical Identifiers
| CAS Number | 121699-10-3 |
|---|---|
| SMILES | C[C@]12CCC(=O)CC1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4CCOS(=O)(=O)O)C=O)O |
| InChIKey | HVANFPMHKAMILB-XKNCWEQSSA-N |
Product Overview
3,5-四氢醛固酮硫酸酯 (CAS 121699-10-3), with molecular formula C21H32O7S and molecular weight 428.19 g/mol. IUPAC: 2-[(8S,9S,10S,11S,13S,14S,17R)-13-formyl-11-hydroxy-10-methyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethyl hydrogen sulfate.
Chemical Property Profile of 3,5-四氢醛固酮硫酸酯
Property Insights of 3,5-四氢醛固酮硫酸酯
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-四氢醛固酮硫酸酯. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-四氢醛固酮硫酸酯. Following Lipinski's Rule of Five, 3,5-四氢醛固酮硫酸酯 has 2 hydrogen bond donor(s) and 7 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 3,5-四氢醛固酮硫酸酯?
The CAS number of 3,5-四氢醛固酮硫酸酯 is 121699-10-3.
What is the molecular formula of 3,5-四氢醛固酮硫酸酯?
The molecular formula of 3,5-四氢醛固酮硫酸酯 is C21H32O7S.
What is the molecular weight of 3,5-四氢醛固酮硫酸酯?
The molecular weight of 3,5-四氢醛固酮硫酸酯 is 428.19 g/mol.
Where can I buy 3,5-四氢醛固酮硫酸酯?
You can request a quote for 3,5-四氢醛固酮硫酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-四氢醛固酮硫酸酯?
Yes, KEHONG BIO provides custom synthesis services for 3,5-四氢醛固酮硫酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.