1-(4-Chlorophenyl)-3-(3-hydroxyanilino)but-2-en-1-one
TL;DR: 1-(4-Chlorophenyl)-3-(3-hydroxyanilino)but-2-en-1-one (CAS 944153-47-3) is a chemical compound with molecular formula C16H14ClNO2 and molecular weight 287.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-3-(3-hydroxyanilino)but-2-en-1-one
Also Known As: SMER18, 1-(4-chlorophenyl)-3-(3-hydroxyanilino)-2-buten-1-one, 1-(4-chlorophenyl)-3-(3-hydroxyanilino)but-2-en-1-one, (Z)-1-(4-Chlorophenyl)-3-(3-hydroxyphenylamino)but-2-en-1-one
| Molecular Formula | C16H14ClNO2 |
|---|---|
| Molecular Weight | 287.07 g/mol |
| LogP | 4.2442 |
| Topological Polar Surface Area | 49.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 287.07132 |
| Heavy Atoms | 20 |
| Complexity | 647.7814 |
Chemical Identifiers
| CAS Number | 944153-47-3 |
|---|---|
| SMILES | CC(=CC(=O)C1=CC=C(C=C1)Cl)NC2=CC(=CC=C2)O |
Product Overview
1-(4-Chlorophenyl)-3-(3-hydroxyanilino)but-2-en-1-one (CAS 944153-47-3), with molecular formula C16H14ClNO2 and molecular weight 287.07 g/mol. IUPAC: 1-(4-chlorophenyl)-3-(3-hydroxyanilino)but-2-en-1-one.
Chemical Property Profile of 1-(4-Chlorophenyl)-3-(3-hydroxyanilino)but-2-en-1-one
Property Insights of 1-(4-Chlorophenyl)-3-(3-hydroxyanilino)but-2-en-1-one
The XLogP value of 4.2442 indicates that 1-(4-Chlorophenyl)-3-(3-hydroxyanilino)but-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 49.33 Ų, 1-(4-Chlorophenyl)-3-(3-hydroxyanilino)but-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Chlorophenyl)-3-(3-hydroxyanilino)but-2-en-1-one has 2 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 1-(4-Chlorophenyl)-3-(3-hydroxyanilino)but-2-en-1-one?
The CAS number of 1-(4-Chlorophenyl)-3-(3-hydroxyanilino)but-2-en-1-one is 944153-47-3.
What is the molecular formula of 1-(4-Chlorophenyl)-3-(3-hydroxyanilino)but-2-en-1-one?
The molecular formula of 1-(4-Chlorophenyl)-3-(3-hydroxyanilino)but-2-en-1-one is C16H14ClNO2.
What is the molecular weight of 1-(4-Chlorophenyl)-3-(3-hydroxyanilino)but-2-en-1-one?
The molecular weight of 1-(4-Chlorophenyl)-3-(3-hydroxyanilino)but-2-en-1-one is 287.07 g/mol.
Where can I buy 1-(4-Chlorophenyl)-3-(3-hydroxyanilino)but-2-en-1-one?
You can request a quote for 1-(4-Chlorophenyl)-3-(3-hydroxyanilino)but-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 1-(4-Chlorophenyl)-3-(3-hydroxyanilino)but-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Chlorophenyl)-3-(3-hydroxyanilino)but-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.