3-(4-Bromophenyl)sulfanylpentane-2,4-dione
TL;DR: 3-(4-Bromophenyl)sulfanylpentane-2,4-dione (CAS 314769-46-5) is a chemical compound with molecular formula C11H11BrO2S and molecular weight 285.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-bromophenyl)sulfanylpentane-2,4-dione
Also Known As: 3-(4-bromophenyl)sulfanylpentane-2,4-dione, 3-((4-bromophenyl)thio)pentane-2,4-dione, 3-{(4-bromophenyl)thio}pentane-2,4-dione, 3-(p-bromophenylthio)-2,4-pentanedione, 3-[(4-bromophenyl)thio]pentane-2,4-dione
| Molecular Formula | C11H11BrO2S |
|---|---|
| Molecular Weight | 285.97 g/mol |
| LogP | 3.0878 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 285.9663 |
| Heavy Atoms | 15 |
| Complexity | 358.67923 |
Chemical Identifiers
| CAS Number | 314769-46-5 |
|---|---|
| SMILES | CC(=O)C(C(=O)C)SC1=CC=C(C=C1)Br |
Product Overview
3-(4-Bromophenyl)sulfanylpentane-2,4-dione (CAS 314769-46-5), with molecular formula C11H11BrO2S and molecular weight 285.97 g/mol. IUPAC: 3-(4-bromophenyl)sulfanylpentane-2,4-dione.
Chemical Property Profile of 3-(4-Bromophenyl)sulfanylpentane-2,4-dione
Property Insights of 3-(4-Bromophenyl)sulfanylpentane-2,4-dione
The XLogP value of 3.0878 indicates that 3-(4-Bromophenyl)sulfanylpentane-2,4-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, 3-(4-Bromophenyl)sulfanylpentane-2,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Bromophenyl)sulfanylpentane-2,4-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 3-(4-Bromophenyl)sulfanylpentane-2,4-dione?
The CAS number of 3-(4-Bromophenyl)sulfanylpentane-2,4-dione is 314769-46-5.
What is the molecular formula of 3-(4-Bromophenyl)sulfanylpentane-2,4-dione?
The molecular formula of 3-(4-Bromophenyl)sulfanylpentane-2,4-dione is C11H11BrO2S.
What is the molecular weight of 3-(4-Bromophenyl)sulfanylpentane-2,4-dione?
The molecular weight of 3-(4-Bromophenyl)sulfanylpentane-2,4-dione is 285.97 g/mol.
Where can I buy 3-(4-Bromophenyl)sulfanylpentane-2,4-dione?
You can request a quote for 3-(4-Bromophenyl)sulfanylpentane-2,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Bromophenyl)sulfanylpentane-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Bromophenyl)sulfanylpentane-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.