7alpha-(Thiomethyl)spironolactone
TL;DR: 7alpha-(Thiomethyl)spironolactone (CAS 38753-77-4) is a chemical compound with molecular formula C23H32O3S and molecular weight 388.21 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-methylsulfanylspiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione
Also Known As: 7alpha-Thiomethylspironolactone, 7-Thiomethylspirolactone, 7alpha-Thiomethyl-SL, A-Thiomethyl-SL, 7alpha-Thiomethylspirolactone
| Molecular Formula | C23H32O3S |
|---|---|
| Molecular Weight | 388.21 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 68.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 388.2072 |
| Heavy Atoms | 27 |
| Complexity | 729.0 |
Chemical Identifiers
| CAS Number | 38753-77-4 |
|---|---|
| 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)SC |
| InChIKey | FWRDLPQBEOKIRE-RJKHXGPOSA-N |
Product Overview
7alpha-(Thiomethyl)spironolactone (CAS 38753-77-4), with molecular formula C23H32O3S and molecular weight 388.21 g/mol. IUPAC: (7R,8R,9S,10R,13S,14S,17R)-10,13-dimethyl-7-methylsulfanylspiro[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-(Thiomethyl)spironolactone
Property Insights of 7alpha-(Thiomethyl)spironolactone
The XLogP value of 3.2 indicates that 7alpha-(Thiomethyl)spironolactone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 7alpha-(Thiomethyl)spironolactone. Following Lipinski's Rule of Five, 7alpha-(Thiomethyl)spironolactone has 0 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-(Thiomethyl)spironolactone?
The CAS number of 7alpha-(Thiomethyl)spironolactone is 38753-77-4.
What is the molecular formula of 7alpha-(Thiomethyl)spironolactone?
The molecular formula of 7alpha-(Thiomethyl)spironolactone is C23H32O3S.
What is the molecular weight of 7alpha-(Thiomethyl)spironolactone?
The molecular weight of 7alpha-(Thiomethyl)spironolactone is 388.21 g/mol.
Where can I buy 7alpha-(Thiomethyl)spironolactone?
You can request a quote for 7alpha-(Thiomethyl)spironolactone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7alpha-(Thiomethyl)spironolactone?
Yes, KEHONG BIO provides custom synthesis services for 7alpha-(Thiomethyl)spironolactone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.