19-Thiomethylandrost-4-ene-3,17-dione
TL;DR: 19-Thiomethylandrost-4-ene-3,17-dione (CAS 90212-03-6) is a chemical compound with molecular formula C20H28O2S and molecular weight 332.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8S,9S,10S,13S,14S)-13-methyl-10-(methylsulfanylmethyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
Also Known As: 19-Tmaed, 19-Thiomethylandrost-4-ene-3,17-dione, 19-methylthioandrost-4-ene-3,17-dione, 19-methylthio-4-androsten-3,17-dione, 19-methylthio-4-androstene-3,17-dione
| Molecular Formula | C20H28O2S |
|---|---|
| Molecular Weight | 332.18 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 59.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 332.181 |
| Heavy Atoms | 23 |
| Complexity | 580.0 |
Chemical Identifiers
| CAS Number | 90212-03-6 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=O)CC[C@]34CSC |
| InChIKey | FDHUZZLLTRFCDB-VDWQKOAOSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
19-Thiomethylandrost-4-ene-3,17-dione (CAS 90212-03-6), with molecular formula C20H28O2S and molecular weight 332.18 g/mol. IUPAC: (8S,9S,10S,13S,14S)-13-methyl-10-(methylsulfanylmethyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione.
Chemical Property Profile of 19-Thiomethylandrost-4-ene-3,17-dione
Property Insights of 19-Thiomethylandrost-4-ene-3,17-dione
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 19-Thiomethylandrost-4-ene-3,17-dione. With a topological polar surface area (TPSA) of 59.4 Ų, 19-Thiomethylandrost-4-ene-3,17-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 19-Thiomethylandrost-4-ene-3,17-dione has 0 hydrogen bond donor(s) and 3 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 19-Thiomethylandrost-4-ene-3,17-dione?
The CAS number of 19-Thiomethylandrost-4-ene-3,17-dione is 90212-03-6.
What is the molecular formula of 19-Thiomethylandrost-4-ene-3,17-dione?
The molecular formula of 19-Thiomethylandrost-4-ene-3,17-dione is C20H28O2S.
What is the molecular weight of 19-Thiomethylandrost-4-ene-3,17-dione?
The molecular weight of 19-Thiomethylandrost-4-ene-3,17-dione is 332.18 g/mol.
Where can I buy 19-Thiomethylandrost-4-ene-3,17-dione?
You can request a quote for 19-Thiomethylandrost-4-ene-3,17-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 19-Thiomethylandrost-4-ene-3,17-dione?
Yes, KEHONG BIO provides custom synthesis services for 19-Thiomethylandrost-4-ene-3,17-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.