7alpha-Thiospironolactone
TL;DR: 7alpha-Thiospironolactone (CAS 38753-76-3) is a chemical compound with molecular formula C22H30O3S and molecular weight 374.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7R,8R,9S,10R,13S,14S,17R)-10,13-dimethyl-7-sulfanylspiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione
Also Known As: Deacetylspironolactone, 7alpha-Thiospironolactone, Mercaptospironolactone, A-Thiospirolactone, 7alpha-thiospirolactone
| Molecular Formula | C22H30O3S |
|---|---|
| Molecular Weight | 374.19 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 44.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 374.19156 |
| Heavy Atoms | 26 |
| Complexity | 714.0 |
Chemical Identifiers
| CAS Number | 38753-76-3 |
|---|---|
| SMILES | C[C@]12CCC(=O)C=C1C[C@H]([C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]45CCC(=O)O5)C)S |
| InChIKey | NZCDWYJROUPYPT-NYTLBARGSA-N |
Product Overview
7alpha-Thiospironolactone (CAS 38753-76-3), with molecular formula C22H30O3S and molecular weight 374.19 g/mol. IUPAC: (7R,8R,9S,10R,13S,14S,17R)-10,13-dimethyl-7-sulfanylspiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione.
Chemical Property Profile of 7alpha-Thiospironolactone
Property Insights of 7alpha-Thiospironolactone
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7alpha-Thiospironolactone. With a topological polar surface area (TPSA) of 44.4 Ų, 7alpha-Thiospironolactone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7alpha-Thiospironolactone has 1 hydrogen bond donor(s) and 4 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 7alpha-Thiospironolactone?
The CAS number of 7alpha-Thiospironolactone is 38753-76-3.
What is the molecular formula of 7alpha-Thiospironolactone?
The molecular formula of 7alpha-Thiospironolactone is C22H30O3S.
What is the molecular weight of 7alpha-Thiospironolactone?
The molecular weight of 7alpha-Thiospironolactone is 374.19 g/mol.
Where can I buy 7alpha-Thiospironolactone?
You can request a quote for 7alpha-Thiospironolactone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7alpha-Thiospironolactone?
Yes, KEHONG BIO provides custom synthesis services for 7alpha-Thiospironolactone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.