4-Chloro-N-(4-fluorobenzyl)butanamide
TL;DR: 4-Chloro-N-(4-fluorobenzyl)butanamide (CAS 541538-83-4) is a chemical compound with molecular formula C11H13ClFNO and molecular weight 229.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-[(4-fluorophenyl)methyl]butanamide
Also Known As: starbld0022902, 4-CHLORO-N-(4-FLUOROBENZYL)BUTANAMIDE, 4-chloro-N-[(4-fluorophenyl)methyl]butanamide, 4-Chloro-N-(4-fluorobenzyl)butyramide, 4-Chloro-N-(4-fluorobenzyl)butyramide, 97%
| Molecular Formula | C11H13ClFNO |
|---|---|
| Molecular Weight | 229.07 g/mol |
| LogP | 2.4609 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 229.06697 |
| Heavy Atoms | 15 |
| Complexity | 312.8689 |
Chemical Identifiers
| CAS Number | 541538-83-4 |
|---|---|
| SMILES | C1=CC(=CC=C1CNC(=O)CCCCl)F |
Product Overview
4-Chloro-N-(4-fluorobenzyl)butanamide (CAS 541538-83-4), with molecular formula C11H13ClFNO and molecular weight 229.07 g/mol. IUPAC: 4-chloro-N-[(4-fluorophenyl)methyl]butanamide.
Chemical Property Profile of 4-Chloro-N-(4-fluorobenzyl)butanamide
Property Insights of 4-Chloro-N-(4-fluorobenzyl)butanamide
The XLogP value of 2.4609 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-N-(4-fluorobenzyl)butanamide. With a topological polar surface area (TPSA) of 29.1 Ų, 4-Chloro-N-(4-fluorobenzyl)butanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-N-(4-fluorobenzyl)butanamide has 1 hydrogen bond donor(s) and 1 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-Chloro-N-(4-fluorobenzyl)butanamide?
The CAS number of 4-Chloro-N-(4-fluorobenzyl)butanamide is 541538-83-4.
What is the molecular formula of 4-Chloro-N-(4-fluorobenzyl)butanamide?
The molecular formula of 4-Chloro-N-(4-fluorobenzyl)butanamide is C11H13ClFNO.
What is the molecular weight of 4-Chloro-N-(4-fluorobenzyl)butanamide?
The molecular weight of 4-Chloro-N-(4-fluorobenzyl)butanamide is 229.07 g/mol.
Where can I buy 4-Chloro-N-(4-fluorobenzyl)butanamide?
You can request a quote for 4-Chloro-N-(4-fluorobenzyl)butanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-N-(4-fluorobenzyl)butanamide?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-N-(4-fluorobenzyl)butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.