4-Phenylthio-1,4-androstadiene-3,17-dione
TL;DR: 4-Phenylthio-1,4-androstadiene-3,17-dione (CAS 20033-60-7) is a chemical compound with molecular formula C25H28O2S and molecular weight 392.18 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-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione
Also Known As: 4,6-Ptadd, 4-TP-1,4-Add, 4-Phenylthio-1,4-androstadiene-3,17-dione, 4-Thiophenyl-1,4-androstadiene-3,17-dione, androsta-1,4-diene-3,17-dione, 4-(phenylthio)-
| Molecular Formula | C25H28O2S |
|---|---|
| Molecular Weight | 392.18 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 59.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 392.181 |
| Heavy Atoms | 28 |
| Complexity | 759.0 |
Chemical Identifiers
| CAS Number | 20033-60-7 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C(C(=O)C=C[C@]34C)SC5=CC=CC=C5 |
| InChIKey | MMYLCMINTKNPSR-BKCLIDBKSA-N |
Product Overview
4-Phenylthio-1,4-androstadiene-3,17-dione (CAS 20033-60-7), with molecular formula C25H28O2S and molecular weight 392.18 g/mol. IUPAC: (8R,9S,10R,13S,14S)-10,13-dimethyl-4-phenylsulfanyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione.
Chemical Property Profile of 4-Phenylthio-1,4-androstadiene-3,17-dione
Property Insights of 4-Phenylthio-1,4-androstadiene-3,17-dione
The XLogP value of 5.5 indicates that 4-Phenylthio-1,4-androstadiene-3,17-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.4 Ų, 4-Phenylthio-1,4-androstadiene-3,17-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Phenylthio-1,4-androstadiene-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-1,4-androstadiene-3,17-dione?
The CAS number of 4-Phenylthio-1,4-androstadiene-3,17-dione is 20033-60-7.
What is the molecular formula of 4-Phenylthio-1,4-androstadiene-3,17-dione?
The molecular formula of 4-Phenylthio-1,4-androstadiene-3,17-dione is C25H28O2S.
What is the molecular weight of 4-Phenylthio-1,4-androstadiene-3,17-dione?
The molecular weight of 4-Phenylthio-1,4-androstadiene-3,17-dione is 392.18 g/mol.
Where can I buy 4-Phenylthio-1,4-androstadiene-3,17-dione?
You can request a quote for 4-Phenylthio-1,4-androstadiene-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-1,4-androstadiene-3,17-dione?
Yes, KEHONG BIO provides custom synthesis services for 4-Phenylthio-1,4-androstadiene-3,17-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.