N-benzoyl-N-(3-chloro-4-fluorophenyl)phenylalanine
TL;DR: N-benzoyl-N-(3-chloro-4-fluorophenyl)phenylalanine (CAS 72274-16-9) is a chemical compound with molecular formula C22H17ClFNO3 and molecular weight 397.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(N-benzoyl-3-chloro-4-fluoroanilino)-3-phenylpropanoic acid
Also Known As: N-benzoyl-N-(3-chloro-4-fluorophenyl)phenylalanine, N-BENZOYL-N-(3-CHLORO-4-FLUOROPHENYL)-DL-PHENYL*, 2-(N-benzoyl-3-chloro-4-fluoroanilino)-3-phenylpropanoic acid
| Molecular Formula | C22H17ClFNO3 |
|---|---|
| Molecular Weight | 397.09 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 57.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 397.0881 |
| Heavy Atoms | 28 |
| Complexity | 534.0 |
Chemical Identifiers
| CAS Number | 72274-16-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(C(=O)O)N(C2=CC(=C(C=C2)F)Cl)C(=O)C3=CC=CC=C3 |
| InChIKey | YLRWGFQGMBOYOY-UHFFFAOYSA-N |
Product Overview
N-benzoyl-N-(3-chloro-4-fluorophenyl)phenylalanine (CAS 72274-16-9), with molecular formula C22H17ClFNO3 and molecular weight 397.09 g/mol. IUPAC: 2-(N-benzoyl-3-chloro-4-fluoroanilino)-3-phenylpropanoic acid.
Chemical Property Profile of N-benzoyl-N-(3-chloro-4-fluorophenyl)phenylalanine
Property Insights of N-benzoyl-N-(3-chloro-4-fluorophenyl)phenylalanine
The XLogP value of 4.5 indicates that N-benzoyl-N-(3-chloro-4-fluorophenyl)phenylalanine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.6 Ų, N-benzoyl-N-(3-chloro-4-fluorophenyl)phenylalanine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-benzoyl-N-(3-chloro-4-fluorophenyl)phenylalanine has 1 hydrogen bond donor(s) and 4 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-benzoyl-N-(3-chloro-4-fluorophenyl)phenylalanine?
The CAS number of N-benzoyl-N-(3-chloro-4-fluorophenyl)phenylalanine is 72274-16-9.
What is the molecular formula of N-benzoyl-N-(3-chloro-4-fluorophenyl)phenylalanine?
The molecular formula of N-benzoyl-N-(3-chloro-4-fluorophenyl)phenylalanine is C22H17ClFNO3.
What is the molecular weight of N-benzoyl-N-(3-chloro-4-fluorophenyl)phenylalanine?
The molecular weight of N-benzoyl-N-(3-chloro-4-fluorophenyl)phenylalanine is 397.09 g/mol.
Where can I buy N-benzoyl-N-(3-chloro-4-fluorophenyl)phenylalanine?
You can request a quote for N-benzoyl-N-(3-chloro-4-fluorophenyl)phenylalanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-benzoyl-N-(3-chloro-4-fluorophenyl)phenylalanine?
Yes, KEHONG BIO provides custom synthesis services for N-benzoyl-N-(3-chloro-4-fluorophenyl)phenylalanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.