4-(3-Chloro-2-methylanilino)-3-phenyl-3-buten-2-one
TL;DR: 4-(3-Chloro-2-methylanilino)-3-phenyl-3-buten-2-one (CAS 339017-26-4) is a chemical compound with molecular formula C17H16ClNO and molecular weight 285.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-(3-chloro-2-methylanilino)-3-phenylbut-3-en-2-one
Also Known As: 4-(3-chloro-2-methylanilino)-3-phenyl-3-buten-2-one, (3E)-4-[(3-chloro-2-methylphenyl)amino]-3-phenylbut-3-en-2-one, 7M-716, (E)-4-(3-chloro-2-methylanilino)-3-phenylbut-3-en-2-one, (E)-4-(3-chloro-2-methyl-anilino)-3-phenyl-but-3-en-2-one
| Molecular Formula | C17H16ClNO |
|---|---|
| Molecular Weight | 285.09 g/mol |
| LogP | 4.69042 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 285.09204 |
| Heavy Atoms | 20 |
| Complexity | 647.2945 |
Chemical Identifiers
| CAS Number | 339017-26-4 |
|---|---|
| SMILES | CC1=C(C=CC=C1Cl)N/C=C(\C2=CC=CC=C2)/C(=O)C |
Product Overview
4-(3-Chloro-2-methylanilino)-3-phenyl-3-buten-2-one (CAS 339017-26-4), with molecular formula C17H16ClNO and molecular weight 285.09 g/mol. IUPAC: (E)-4-(3-chloro-2-methylanilino)-3-phenylbut-3-en-2-one.
Chemical Property Profile of 4-(3-Chloro-2-methylanilino)-3-phenyl-3-buten-2-one
Property Insights of 4-(3-Chloro-2-methylanilino)-3-phenyl-3-buten-2-one
The XLogP value of 4.69042 indicates that 4-(3-Chloro-2-methylanilino)-3-phenyl-3-buten-2-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, 4-(3-Chloro-2-methylanilino)-3-phenyl-3-buten-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3-Chloro-2-methylanilino)-3-phenyl-3-buten-2-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 4-(3-Chloro-2-methylanilino)-3-phenyl-3-buten-2-one?
The CAS number of 4-(3-Chloro-2-methylanilino)-3-phenyl-3-buten-2-one is 339017-26-4.
What is the molecular formula of 4-(3-Chloro-2-methylanilino)-3-phenyl-3-buten-2-one?
The molecular formula of 4-(3-Chloro-2-methylanilino)-3-phenyl-3-buten-2-one is C17H16ClNO.
What is the molecular weight of 4-(3-Chloro-2-methylanilino)-3-phenyl-3-buten-2-one?
The molecular weight of 4-(3-Chloro-2-methylanilino)-3-phenyl-3-buten-2-one is 285.09 g/mol.
Where can I buy 4-(3-Chloro-2-methylanilino)-3-phenyl-3-buten-2-one?
You can request a quote for 4-(3-Chloro-2-methylanilino)-3-phenyl-3-buten-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-Chloro-2-methylanilino)-3-phenyl-3-buten-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-Chloro-2-methylanilino)-3-phenyl-3-buten-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.