N-(3-chloro-4-fluorophenyl)-3-oxobutanamide
TL;DR: N-(3-chloro-4-fluorophenyl)-3-oxobutanamide (CAS 712308-71-9) is a chemical compound with molecular formula C10H9ClFNO2 and molecular weight 229.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-4-fluorophenyl)-3-oxobutanamide
Also Known As: N-(3-chloro-4-fluorophenyl)-3-oxobutanamide, N-(3-chloro-4-fluorophenyl)-2-acetylacetamide, N-(3-chloro-4-fluoro-phenyl)-3-oxo-butanamide
| Molecular Formula | C10H9ClFNO2 |
|---|---|
| Molecular Weight | 229.03 g/mol |
| LogP | 2.3967 |
| Topological Polar Surface Area | 46.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 229.03058 |
| Heavy Atoms | 15 |
| Complexity | 406.4089 |
Chemical Identifiers
| CAS Number | 712308-71-9 |
|---|---|
| SMILES | CC(=O)CC(=O)NC1=CC(=C(C=C1)F)Cl |
Product Overview
N-(3-chloro-4-fluorophenyl)-3-oxobutanamide (CAS 712308-71-9), with molecular formula C10H9ClFNO2 and molecular weight 229.03 g/mol. IUPAC: N-(3-chloro-4-fluorophenyl)-3-oxobutanamide.
Chemical Property Profile of N-(3-chloro-4-fluorophenyl)-3-oxobutanamide
Property Insights of N-(3-chloro-4-fluorophenyl)-3-oxobutanamide
The XLogP value of 2.3967 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-chloro-4-fluorophenyl)-3-oxobutanamide. With a topological polar surface area (TPSA) of 46.17 Ų, N-(3-chloro-4-fluorophenyl)-3-oxobutanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-chloro-4-fluorophenyl)-3-oxobutanamide 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 N-(3-chloro-4-fluorophenyl)-3-oxobutanamide?
The CAS number of N-(3-chloro-4-fluorophenyl)-3-oxobutanamide is 712308-71-9.
What is the molecular formula of N-(3-chloro-4-fluorophenyl)-3-oxobutanamide?
The molecular formula of N-(3-chloro-4-fluorophenyl)-3-oxobutanamide is C10H9ClFNO2.
What is the molecular weight of N-(3-chloro-4-fluorophenyl)-3-oxobutanamide?
The molecular weight of N-(3-chloro-4-fluorophenyl)-3-oxobutanamide is 229.03 g/mol.
Where can I buy N-(3-chloro-4-fluorophenyl)-3-oxobutanamide?
You can request a quote for N-(3-chloro-4-fluorophenyl)-3-oxobutanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-chloro-4-fluorophenyl)-3-oxobutanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-chloro-4-fluorophenyl)-3-oxobutanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.