![1-(4-Chlorophenyl)-3-[(4-fluorobenzyl)amino]-2-buten-1-one structure](/static/products/664/664348-75-8.png)
1-(4-Chlorophenyl)-3-[(4-fluorobenzyl)amino]-2-buten-1-one
TL;DR: 1-(4-Chlorophenyl)-3-[(4-fluorobenzyl)amino]-2-buten-1-one (CAS 664348-75-8) is a chemical compound with molecular formula C17H15ClFNO and molecular weight 303.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-(4-chlorophenyl)-3-[(4-fluorophenyl)methylamino]but-2-en-1-one
Also Known As: 1-(4-chlorophenyl)-3-[(4-fluorobenzyl)amino]-2-buten-1-one, AH-487/40922553, (E)-1-(4-chlorophenyl)-3-[(4-fluorophenyl)methylamino]but-2-en-1-one
| Molecular Formula | C17H15ClFNO |
|---|---|
| Molecular Weight | 303.08 g/mol |
| LogP | 4.3554 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 303.0826 |
| Heavy Atoms | 21 |
| Complexity | 647.49524 |
Chemical Identifiers
| CAS Number | 664348-75-8 |
|---|---|
| SMILES | C/C(=C\C(=O)C1=CC=C(C=C1)Cl)/NCC2=CC=C(C=C2)F |
Product Overview
1-(4-Chlorophenyl)-3-[(4-fluorobenzyl)amino]-2-buten-1-one (CAS 664348-75-8), with molecular formula C17H15ClFNO and molecular weight 303.08 g/mol. IUPAC: (E)-1-(4-chlorophenyl)-3-[(4-fluorophenyl)methylamino]but-2-en-1-one.
Chemical Property Profile of 1-(4-Chlorophenyl)-3-[(4-fluorobenzyl)amino]-2-buten-1-one
Property Insights of 1-(4-Chlorophenyl)-3-[(4-fluorobenzyl)amino]-2-buten-1-one
The XLogP value of 4.3554 indicates that 1-(4-Chlorophenyl)-3-[(4-fluorobenzyl)amino]-2-buten-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, 1-(4-Chlorophenyl)-3-[(4-fluorobenzyl)amino]-2-buten-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Chlorophenyl)-3-[(4-fluorobenzyl)amino]-2-buten-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 1-(4-Chlorophenyl)-3-[(4-fluorobenzyl)amino]-2-buten-1-one?
The CAS number of 1-(4-Chlorophenyl)-3-[(4-fluorobenzyl)amino]-2-buten-1-one is 664348-75-8.
What is the molecular formula of 1-(4-Chlorophenyl)-3-[(4-fluorobenzyl)amino]-2-buten-1-one?
The molecular formula of 1-(4-Chlorophenyl)-3-[(4-fluorobenzyl)amino]-2-buten-1-one is C17H15ClFNO.
What is the molecular weight of 1-(4-Chlorophenyl)-3-[(4-fluorobenzyl)amino]-2-buten-1-one?
The molecular weight of 1-(4-Chlorophenyl)-3-[(4-fluorobenzyl)amino]-2-buten-1-one is 303.08 g/mol.
Where can I buy 1-(4-Chlorophenyl)-3-[(4-fluorobenzyl)amino]-2-buten-1-one?
You can request a quote for 1-(4-Chlorophenyl)-3-[(4-fluorobenzyl)amino]-2-buten-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-[(4-fluorobenzyl)amino]-2-buten-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Chlorophenyl)-3-[(4-fluorobenzyl)amino]-2-buten-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.