7-(4'-Bromoacetamido)phenylthio-4-androstene-3,17-dione
TL;DR: 7-(4'-Bromoacetamido)phenylthio-4-androstene-3,17-dione (CAS 4728-07-8) is a chemical compound with molecular formula C27H32BrNO3S and molecular weight 529.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-N-[4-[[(7R,8R,9S,10R,13S)-10,13-dimethyl-3,17-dioxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-7-yl]sulfanyl]phenyl]acetamide
Also Known As: 7-Bpta, 7-(4'-Bromoacetamido)phenylthio-4-androstene-3,17-dione, 2-bromo-N-[4-[[(7R,8R,9S,10R,13S)-10,13-dimethyl-3,17-dioxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-7-yl]sulfanyl]phenyl]acetamide, 2-bromo-n-(4-{[(7, A,14xi)-3,17-dioxoandrost-4-en-7-yl]sulfanyl}phenyl)acetamide
| Molecular Formula | C27H32BrNO3S |
|---|---|
| Molecular Weight | 529.13 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 88.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 529.1286 |
| Heavy Atoms | 33 |
| Complexity | 865.0 |
Chemical Identifiers
| CAS Number | 4728-07-8 |
|---|---|
| SMILES | C[C@]12CCC(=O)C=C1C[C@H]([C@@H]3[C@@H]2CC[C@]4(C3CCC4=O)C)SC5=CC=C(C=C5)NC(=O)CBr |
| InChIKey | LCFDGVXDFUKBGU-YHBVRMNNSA-N |
Product Overview
7-(4'-Bromoacetamido)phenylthio-4-androstene-3,17-dione (CAS 4728-07-8), with molecular formula C27H32BrNO3S and molecular weight 529.13 g/mol. IUPAC: 2-bromo-N-[4-[[(7R,8R,9S,10R,13S)-10,13-dimethyl-3,17-dioxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-7-yl]sulfanyl]phenyl]acetamide.
Chemical Property Profile of 7-(4'-Bromoacetamido)phenylthio-4-androstene-3,17-dione
Property Insights of 7-(4'-Bromoacetamido)phenylthio-4-androstene-3,17-dione
The XLogP value of 4.4 indicates that 7-(4'-Bromoacetamido)phenylthio-4-androstene-3,17-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(4'-Bromoacetamido)phenylthio-4-androstene-3,17-dione. Following Lipinski's Rule of Five, 7-(4'-Bromoacetamido)phenylthio-4-androstene-3,17-dione has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 7-(4'-Bromoacetamido)phenylthio-4-androstene-3,17-dione?
The CAS number of 7-(4'-Bromoacetamido)phenylthio-4-androstene-3,17-dione is 4728-07-8.
What is the molecular formula of 7-(4'-Bromoacetamido)phenylthio-4-androstene-3,17-dione?
The molecular formula of 7-(4'-Bromoacetamido)phenylthio-4-androstene-3,17-dione is C27H32BrNO3S.
What is the molecular weight of 7-(4'-Bromoacetamido)phenylthio-4-androstene-3,17-dione?
The molecular weight of 7-(4'-Bromoacetamido)phenylthio-4-androstene-3,17-dione is 529.13 g/mol.
Where can I buy 7-(4'-Bromoacetamido)phenylthio-4-androstene-3,17-dione?
You can request a quote for 7-(4'-Bromoacetamido)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 7-(4'-Bromoacetamido)phenylthio-4-androstene-3,17-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-(4'-Bromoacetamido)phenylthio-4-androstene-3,17-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.