7-Benzyl-1,4,6-androstatriene-3,17-dione
TL;DR: 7-Benzyl-1,4,6-androstatriene-3,17-dione (CAS 131802-66-9) is a chemical compound with molecular formula C26H28O2 and molecular weight 372.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8R,9S,10R,13S,14S)-7-benzyl-10,13-dimethyl-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthrene-3,17-dione
Also Known As: 7-Batdo, 7-Benzylandrosta-1,4,6-triene-3,17-dione, 7-Benzyl-1,4,6-androstatriene-3,17-dione, Androsta-1,4,6-triene-3,17-dione, 7-(phenylmethyl)-, (8R,9S,10R,13S,14S)-7-benzyl-10,13-dimethyl-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthrene-3,17-dione
| Molecular Formula | C26H28O2 |
|---|---|
| Molecular Weight | 372.21 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 372.20892 |
| Heavy Atoms | 28 |
| Complexity | 793.0 |
Chemical Identifiers
| CAS Number | 131802-66-9 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)C(=CC4=CC(=O)C=C[C@]34C)CC5=CC=CC=C5 |
| InChIKey | TZJKJQQPVWTQSG-AEFDYNLKSA-N |
Product Overview
7-Benzyl-1,4,6-androstatriene-3,17-dione (CAS 131802-66-9), with molecular formula C26H28O2 and molecular weight 372.21 g/mol. IUPAC: (8R,9S,10R,13S,14S)-7-benzyl-10,13-dimethyl-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthrene-3,17-dione.
Chemical Property Profile of 7-Benzyl-1,4,6-androstatriene-3,17-dione
Property Insights of 7-Benzyl-1,4,6-androstatriene-3,17-dione
The XLogP value of 4.5 indicates that 7-Benzyl-1,4,6-androstatriene-3,17-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.1 Ų, 7-Benzyl-1,4,6-androstatriene-3,17-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Benzyl-1,4,6-androstatriene-3,17-dione has 0 hydrogen bond donor(s) and 2 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 7-Benzyl-1,4,6-androstatriene-3,17-dione?
The CAS number of 7-Benzyl-1,4,6-androstatriene-3,17-dione is 131802-66-9.
What is the molecular formula of 7-Benzyl-1,4,6-androstatriene-3,17-dione?
The molecular formula of 7-Benzyl-1,4,6-androstatriene-3,17-dione is C26H28O2.
What is the molecular weight of 7-Benzyl-1,4,6-androstatriene-3,17-dione?
The molecular weight of 7-Benzyl-1,4,6-androstatriene-3,17-dione is 372.21 g/mol.
Where can I buy 7-Benzyl-1,4,6-androstatriene-3,17-dione?
You can request a quote for 7-Benzyl-1,4,6-androstatriene-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 7-Benzyl-1,4,6-androstatriene-3,17-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-Benzyl-1,4,6-androstatriene-3,17-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.