3-(Benzenesulfonyl)-1-phenylprop-2-en-1-one
TL;DR: 3-(Benzenesulfonyl)-1-phenylprop-2-en-1-one (CAS 42427-01-0) is a chemical compound with molecular formula C15H12O3S and molecular weight 272.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(benzenesulfonyl)-1-phenylprop-2-en-1-one
Also Known As: 3-(Phenylsulfonyl)acrylophenone, 1-phenyl-3-(phenylsulfonyl)prop-2-en-1-one, 3-(benzenesulfonyl)-1-phenylprop-2-en-1-one, (Z)-3-(benzenesulfonyl)-1-phenylprop-2-en-1-one
| Molecular Formula | C15H12O3S |
|---|---|
| Molecular Weight | 272.05 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 59.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 272.05072 |
| Heavy Atoms | 19 |
| Complexity | 419.0 |
Chemical Identifiers
| CAS Number | 42427-01-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C=CS(=O)(=O)C2=CC=CC=C2 |
| InChIKey | KPWYLVJFIPLFCW-UHFFFAOYSA-N |
Product Overview
3-(Benzenesulfonyl)-1-phenylprop-2-en-1-one (CAS 42427-01-0), with molecular formula C15H12O3S and molecular weight 272.05 g/mol. IUPAC: 3-(benzenesulfonyl)-1-phenylprop-2-en-1-one.
Chemical Property Profile of 3-(Benzenesulfonyl)-1-phenylprop-2-en-1-one
Property Insights of 3-(Benzenesulfonyl)-1-phenylprop-2-en-1-one
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Benzenesulfonyl)-1-phenylprop-2-en-1-one. With a topological polar surface area (TPSA) of 59.6 Ų, 3-(Benzenesulfonyl)-1-phenylprop-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Benzenesulfonyl)-1-phenylprop-2-en-1-one 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-(Benzenesulfonyl)-1-phenylprop-2-en-1-one?
The CAS number of 3-(Benzenesulfonyl)-1-phenylprop-2-en-1-one is 42427-01-0.
What is the molecular formula of 3-(Benzenesulfonyl)-1-phenylprop-2-en-1-one?
The molecular formula of 3-(Benzenesulfonyl)-1-phenylprop-2-en-1-one is C15H12O3S.
What is the molecular weight of 3-(Benzenesulfonyl)-1-phenylprop-2-en-1-one?
The molecular weight of 3-(Benzenesulfonyl)-1-phenylprop-2-en-1-one is 272.05 g/mol.
Where can I buy 3-(Benzenesulfonyl)-1-phenylprop-2-en-1-one?
You can request a quote for 3-(Benzenesulfonyl)-1-phenylprop-2-en-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Benzenesulfonyl)-1-phenylprop-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(Benzenesulfonyl)-1-phenylprop-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.