![n-[4-(4-Chloro-2-methylphenoxy)butanoyl]phenylalanine structure](/static/products/5447/5447-08-5.webp)
n-[4-(4-Chloro-2-methylphenoxy)butanoyl]phenylalanine
TL;DR: n-[4-(4-Chloro-2-methylphenoxy)butanoyl]phenylalanine (CAS 5447-08-5) is a chemical compound with molecular formula C20H22ClNO4 and molecular weight 375.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(4-chloro-2-methylphenoxy)butanoylamino]-3-phenylpropanoic acid
Also Known As: n-[4-(4-chloro-2-methylphenoxy)butanoyl]phenylalanine, 2-[4-(4-chloro-2-methylphenoxy)butanoylamino]-3-phenylpropanoic acid
| Molecular Formula | C20H22ClNO4 |
|---|---|
| Molecular Weight | 375.12 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 75.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 375.12375 |
| Heavy Atoms | 26 |
| Complexity | 453.0 |
Chemical Identifiers
| CAS Number | 5447-08-5 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Cl)OCCCC(=O)NC(CC2=CC=CC=C2)C(=O)O |
| InChIKey | HYPICOQOBKGXGA-UHFFFAOYSA-N |
Product Overview
n-[4-(4-Chloro-2-methylphenoxy)butanoyl]phenylalanine (CAS 5447-08-5), with molecular formula C20H22ClNO4 and molecular weight 375.12 g/mol. IUPAC: 2-[4-(4-chloro-2-methylphenoxy)butanoylamino]-3-phenylpropanoic acid.
Chemical Property Profile of n-[4-(4-Chloro-2-methylphenoxy)butanoyl]phenylalanine
Property Insights of n-[4-(4-Chloro-2-methylphenoxy)butanoyl]phenylalanine
The XLogP value of 4.1 indicates that n-[4-(4-Chloro-2-methylphenoxy)butanoyl]phenylalanine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for n-[4-(4-Chloro-2-methylphenoxy)butanoyl]phenylalanine. Following Lipinski's Rule of Five, n-[4-(4-Chloro-2-methylphenoxy)butanoyl]phenylalanine has 2 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-[4-(4-Chloro-2-methylphenoxy)butanoyl]phenylalanine?
The CAS number of n-[4-(4-Chloro-2-methylphenoxy)butanoyl]phenylalanine is 5447-08-5.
What is the molecular formula of n-[4-(4-Chloro-2-methylphenoxy)butanoyl]phenylalanine?
The molecular formula of n-[4-(4-Chloro-2-methylphenoxy)butanoyl]phenylalanine is C20H22ClNO4.
What is the molecular weight of n-[4-(4-Chloro-2-methylphenoxy)butanoyl]phenylalanine?
The molecular weight of n-[4-(4-Chloro-2-methylphenoxy)butanoyl]phenylalanine is 375.12 g/mol.
Where can I buy n-[4-(4-Chloro-2-methylphenoxy)butanoyl]phenylalanine?
You can request a quote for n-[4-(4-Chloro-2-methylphenoxy)butanoyl]phenylalanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for n-[4-(4-Chloro-2-methylphenoxy)butanoyl]phenylalanine?
Yes, KEHONG BIO provides custom synthesis services for n-[4-(4-Chloro-2-methylphenoxy)butanoyl]phenylalanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.