4-(Phenylthio)-4-androstene-3,17,dione
TL;DR: 4-(Phenylthio)-4-androstene-3,17,dione (CAS 100513-95-9) is a chemical compound with molecular formula C25H30O2S and molecular weight 394.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8R,9S,10R,13S,14S)-10,13-dimethyl-4-phenylsulfanyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
Also Known As: 4-Ptad, 4-(Phenylthio)-4-androstene-3,17,dione, 4-phenylthio-4-androstene-3,17-dione, 4-(Phenylthio)androst-4-ene-3,17-dione, 4-(Phenylsulfanyl)androst-4-ene-3,17-dione
| Molecular Formula | C25H30O2S |
|---|---|
| Molecular Weight | 394.20 g/mol |
| LogP | 6.2074 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 394.19666 |
| Heavy Atoms | 28 |
| Complexity | 856.55865 |
Chemical Identifiers
| CAS Number | 100513-95-9 |
|---|---|
| SMILES | C[C@]12CCC(=O)C(=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)SC5=CC=CC=C5 |
Product Overview
4-(Phenylthio)-4-androstene-3,17,dione (CAS 100513-95-9), with molecular formula C25H30O2S and molecular weight 394.20 g/mol. IUPAC: (8R,9S,10R,13S,14S)-10,13-dimethyl-4-phenylsulfanyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione.
Chemical Property Profile of 4-(Phenylthio)-4-androstene-3,17,dione
Property Insights of 4-(Phenylthio)-4-androstene-3,17,dione
The XLogP value of 6.2074 indicates that 4-(Phenylthio)-4-androstene-3,17,dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.14 Ų, 4-(Phenylthio)-4-androstene-3,17,dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Phenylthio)-4-androstene-3,17,dione has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(Phenylthio)-4-androstene-3,17,dione?
The CAS number of 4-(Phenylthio)-4-androstene-3,17,dione is 100513-95-9.
What is the molecular formula of 4-(Phenylthio)-4-androstene-3,17,dione?
The molecular formula of 4-(Phenylthio)-4-androstene-3,17,dione is C25H30O2S.
What is the molecular weight of 4-(Phenylthio)-4-androstene-3,17,dione?
The molecular weight of 4-(Phenylthio)-4-androstene-3,17,dione is 394.20 g/mol.
Where can I buy 4-(Phenylthio)-4-androstene-3,17,dione?
You can request a quote for 4-(Phenylthio)-4-androstene-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 4-(Phenylthio)-4-androstene-3,17,dione?
Yes, KEHONG BIO provides custom synthesis services for 4-(Phenylthio)-4-androstene-3,17,dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.