![4-[[2-(4-Chloro-3-methylphenoxy)propanoylamino]methyl]benzoic acid structure](/static/products/5148/514818-01-0.webp)
4-[[2-(4-Chloro-3-methylphenoxy)propanoylamino]methyl]benzoic acid
TL;DR: 4-[[2-(4-Chloro-3-methylphenoxy)propanoylamino]methyl]benzoic acid (CAS 514818-01-0) is a chemical compound with molecular formula C18H18ClNO4 and molecular weight 347.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-(4-chloro-3-methylphenoxy)propanoylamino]methyl]benzoic acid
Also Known As: 4-[[2-(4-chloro-3-methylphenoxy)propanoylamino]methyl]benzoic acid, 4-{[2-(4-chloro-3-methylphenoxy)propanoylamino]methyl}benzoic acid, 4-({[2-(4-chloro-3-methylphenoxy)propanoyl]amino}methyl)benzoic acid, 4-[[2-(4-chloro-3-methyl-phenoxy)propanoylamino]methyl]benzoic Acid
| Molecular Formula | C18H18ClNO4 |
|---|---|
| Molecular Weight | 347.09 g/mol |
| LogP | 3.43032 |
| Topological Polar Surface Area | 75.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 347.09244 |
| Heavy Atoms | 24 |
| Complexity | 743.184 |
Chemical Identifiers
| CAS Number | 514818-01-0 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)OC(C)C(=O)NCC2=CC=C(C=C2)C(=O)O)Cl |
Product Overview
4-[[2-(4-Chloro-3-methylphenoxy)propanoylamino]methyl]benzoic acid (CAS 514818-01-0), with molecular formula C18H18ClNO4 and molecular weight 347.09 g/mol. IUPAC: 4-[[2-(4-chloro-3-methylphenoxy)propanoylamino]methyl]benzoic acid.
Chemical Property Profile of 4-[[2-(4-Chloro-3-methylphenoxy)propanoylamino]methyl]benzoic acid
Property Insights of 4-[[2-(4-Chloro-3-methylphenoxy)propanoylamino]methyl]benzoic acid
The XLogP value of 3.43032 indicates that 4-[[2-(4-Chloro-3-methylphenoxy)propanoylamino]methyl]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[[2-(4-Chloro-3-methylphenoxy)propanoylamino]methyl]benzoic acid. Following Lipinski's Rule of Five, 4-[[2-(4-Chloro-3-methylphenoxy)propanoylamino]methyl]benzoic acid has 2 hydrogen bond donor(s) and 3 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-[[2-(4-Chloro-3-methylphenoxy)propanoylamino]methyl]benzoic acid?
The CAS number of 4-[[2-(4-Chloro-3-methylphenoxy)propanoylamino]methyl]benzoic acid is 514818-01-0.
What is the molecular formula of 4-[[2-(4-Chloro-3-methylphenoxy)propanoylamino]methyl]benzoic acid?
The molecular formula of 4-[[2-(4-Chloro-3-methylphenoxy)propanoylamino]methyl]benzoic acid is C18H18ClNO4.
What is the molecular weight of 4-[[2-(4-Chloro-3-methylphenoxy)propanoylamino]methyl]benzoic acid?
The molecular weight of 4-[[2-(4-Chloro-3-methylphenoxy)propanoylamino]methyl]benzoic acid is 347.09 g/mol.
Where can I buy 4-[[2-(4-Chloro-3-methylphenoxy)propanoylamino]methyl]benzoic acid?
You can request a quote for 4-[[2-(4-Chloro-3-methylphenoxy)propanoylamino]methyl]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[[2-(4-Chloro-3-methylphenoxy)propanoylamino]methyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[[2-(4-Chloro-3-methylphenoxy)propanoylamino]methyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.