4-(4-Acetylanilino)-3-(benzenesulfonyl)but-3-en-2-one
TL;DR: 4-(4-Acetylanilino)-3-(benzenesulfonyl)but-3-en-2-one (CAS 1025281-03-1) is a chemical compound with molecular formula C18H17NO4S and molecular weight 343.08783 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(4-acetylanilino)-3-(benzenesulfonyl)but-3-en-2-one
Also Known As: 4-(4-acetylanilino)-3-(benzenesulfonyl)but-3-en-2-one, 4-((4-ACETYLPHENYL)AMINO)-3-(PHENYLSULFONYL)BUT-3-EN-2-ONE, 4-[(4-acetylphenyl)amino]-3-(benzenesulfonyl)but-3-en-2-one
Technical Specifications
| Molecular Formula | C18H17NO4S |
| Molecular Weight | 343.08783 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 88.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 343.08783 Da |
| Heavy Atoms | 24 |
| Complexity | 589.0 |
| SMILES | CC(=O)C1=CC=C(C=C1)NC=C(C(=O)C)S(=O)(=O)C2=CC=CC=C2 |
| InChIKey | BGEJGDCSVREPPW-UHFFFAOYSA-N |
Chemical Property Profile of 4-(4-Acetylanilino)-3-(benzenesulfonyl)but-3-en-2-one
Property Insights of 4-(4-Acetylanilino)-3-(benzenesulfonyl)but-3-en-2-one
The XLogP value of 3.0 indicates that 4-(4-Acetylanilino)-3-(benzenesulfonyl)but-3-en-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Acetylanilino)-3-(benzenesulfonyl)but-3-en-2-one. Following Lipinski's Rule of Five, 4-(4-Acetylanilino)-3-(benzenesulfonyl)but-3-en-2-one has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-(4-Acetylanilino)-3-(benzenesulfonyl)but-3-en-2-one?
The CAS number of 4-(4-Acetylanilino)-3-(benzenesulfonyl)but-3-en-2-one is 1025281-03-1.
What is the molecular formula of 4-(4-Acetylanilino)-3-(benzenesulfonyl)but-3-en-2-one?
The molecular formula of 4-(4-Acetylanilino)-3-(benzenesulfonyl)but-3-en-2-one is C18H17NO4S.
What is the molecular weight of 4-(4-Acetylanilino)-3-(benzenesulfonyl)but-3-en-2-one?
The molecular weight of 4-(4-Acetylanilino)-3-(benzenesulfonyl)but-3-en-2-one is 343.08783 g/mol.
Where can I buy 4-(4-Acetylanilino)-3-(benzenesulfonyl)but-3-en-2-one?
You can request a quote for 4-(4-Acetylanilino)-3-(benzenesulfonyl)but-3-en-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(4-Acetylanilino)-3-(benzenesulfonyl)but-3-en-2-one?
Yes, CoreyChem provides custom synthesis services for 4-(4-Acetylanilino)-3-(benzenesulfonyl)but-3-en-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.