![1-[(4-Bromophenyl)sulfanyl]-3-[(4-methylphenyl)sulfonyl]acetone structure](/static/products/4000/400081-07-4.webp)
1-[(4-Bromophenyl)sulfanyl]-3-[(4-methylphenyl)sulfonyl]acetone
TL;DR: 1-[(4-Bromophenyl)sulfanyl]-3-[(4-methylphenyl)sulfonyl]acetone (CAS 400081-07-4) is a chemical compound with molecular formula C16H15BrO3S2 and molecular weight 397.9646 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-bromophenyl)sulfanyl-3-(4-methylphenyl)sulfonylpropan-2-one
Also Known As: 3H-479S, 1-[(4-bromophenyl)sulfanyl]-3-[(4-methylphenyl)sulfonyl]acetone, 1-(4-bromophenyl)sulfanyl-3-(4-methylphenyl)sulfonylpropan-2-one, 1-[(4-bromophenyl)sulfanyl]-3-(4-methylbenzenesulfonyl)propan-2-one
Technical Specifications
| Molecular Formula | C16H15BrO3S2 |
| Molecular Weight | 397.9646 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 84.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 397.9646 Da |
| Heavy Atoms | 22 |
| Complexity | 456.0 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)CC(=O)CSC2=CC=C(C=C2)Br |
| InChIKey | ISQIIMZLQRIYRX-UHFFFAOYSA-N |
Chemical Property Profile of 1-[(4-Bromophenyl)sulfanyl]-3-[(4-methylphenyl)sulfonyl]acetone
Property Insights of 1-[(4-Bromophenyl)sulfanyl]-3-[(4-methylphenyl)sulfonyl]acetone
The XLogP value of 4.2 indicates that 1-[(4-Bromophenyl)sulfanyl]-3-[(4-methylphenyl)sulfonyl]acetone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(4-Bromophenyl)sulfanyl]-3-[(4-methylphenyl)sulfonyl]acetone. Following Lipinski's Rule of Five, 1-[(4-Bromophenyl)sulfanyl]-3-[(4-methylphenyl)sulfonyl]acetone has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-[(4-Bromophenyl)sulfanyl]-3-[(4-methylphenyl)sulfonyl]acetone?
The CAS number of 1-[(4-Bromophenyl)sulfanyl]-3-[(4-methylphenyl)sulfonyl]acetone is 400081-07-4.
What is the molecular formula of 1-[(4-Bromophenyl)sulfanyl]-3-[(4-methylphenyl)sulfonyl]acetone?
The molecular formula of 1-[(4-Bromophenyl)sulfanyl]-3-[(4-methylphenyl)sulfonyl]acetone is C16H15BrO3S2.
What is the molecular weight of 1-[(4-Bromophenyl)sulfanyl]-3-[(4-methylphenyl)sulfonyl]acetone?
The molecular weight of 1-[(4-Bromophenyl)sulfanyl]-3-[(4-methylphenyl)sulfonyl]acetone is 397.9646 g/mol.
Where can I buy 1-[(4-Bromophenyl)sulfanyl]-3-[(4-methylphenyl)sulfonyl]acetone?
You can request a quote for 1-[(4-Bromophenyl)sulfanyl]-3-[(4-methylphenyl)sulfonyl]acetone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-[(4-Bromophenyl)sulfanyl]-3-[(4-methylphenyl)sulfonyl]acetone?
Yes, CoreyChem provides custom synthesis services for 1-[(4-Bromophenyl)sulfanyl]-3-[(4-methylphenyl)sulfonyl]acetone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.