3-(2-Chloroanilino)-1-phenylbut-2-en-1-one
TL;DR: 3-(2-Chloroanilino)-1-phenylbut-2-en-1-one (CAS 7295-19-4) is a chemical compound with molecular formula C16H14ClNO and molecular weight 271.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-chloroanilino)-1-phenylbut-2-en-1-one
Also Known As: NCIOpen2_006641, 3-(2-chloroanilino)-1-phenylbut-2-en-1-one, 3-[(2-chlorophenyl)amino]-1-phenylbut-2-en-1-one
| Molecular Formula | C16H14ClNO |
|---|---|
| Molecular Weight | 271.08 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 271.0764 |
| Heavy Atoms | 19 |
| Complexity | 334.0 |
Chemical Identifiers
| CAS Number | 7295-19-4 |
|---|---|
| SMILES | CC(=CC(=O)C1=CC=CC=C1)NC2=CC=CC=C2Cl |
| InChIKey | DPZSLFKXHUUDDX-UHFFFAOYSA-N |
Product Overview
3-(2-Chloroanilino)-1-phenylbut-2-en-1-one (CAS 7295-19-4), with molecular formula C16H14ClNO and molecular weight 271.08 g/mol. IUPAC: 3-(2-chloroanilino)-1-phenylbut-2-en-1-one.
Chemical Property Profile of 3-(2-Chloroanilino)-1-phenylbut-2-en-1-one
Property Insights of 3-(2-Chloroanilino)-1-phenylbut-2-en-1-one
The XLogP value of 4.9 indicates that 3-(2-Chloroanilino)-1-phenylbut-2-en-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, 3-(2-Chloroanilino)-1-phenylbut-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-Chloroanilino)-1-phenylbut-2-en-1-one has 1 hydrogen bond donor(s) and 2 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-(2-Chloroanilino)-1-phenylbut-2-en-1-one?
The CAS number of 3-(2-Chloroanilino)-1-phenylbut-2-en-1-one is 7295-19-4.
What is the molecular formula of 3-(2-Chloroanilino)-1-phenylbut-2-en-1-one?
The molecular formula of 3-(2-Chloroanilino)-1-phenylbut-2-en-1-one is C16H14ClNO.
What is the molecular weight of 3-(2-Chloroanilino)-1-phenylbut-2-en-1-one?
The molecular weight of 3-(2-Chloroanilino)-1-phenylbut-2-en-1-one is 271.08 g/mol.
Where can I buy 3-(2-Chloroanilino)-1-phenylbut-2-en-1-one?
You can request a quote for 3-(2-Chloroanilino)-1-phenylbut-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-(2-Chloroanilino)-1-phenylbut-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Chloroanilino)-1-phenylbut-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.