![{2-[(3-Chloro-4-methylphenyl)amino]-2-oxoethoxy}acetic acid structure](/static/products/736/736971-22-5.png)
{2-[(3-Chloro-4-methylphenyl)amino]-2-oxoethoxy}acetic acid
TL;DR: {2-[(3-Chloro-4-methylphenyl)amino]-2-oxoethoxy}acetic acid (CAS 736971-22-5) is a chemical compound with molecular formula C11H12ClNO4 and molecular weight 257.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]acetic acid
Also Known As: {2-[(3-chloro-4-methylphenyl)amino]-2-oxoethoxy}acetic acid, [2-(3-chloro-4-methylanilino)-2-oxoethoxy]acetic acid, 2-[(3-chloro-4-methyl-phenyl)carbamoylmethoxy]acetic Acid, 2-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]acetic acid
| Molecular Formula | C11H12ClNO4 |
|---|---|
| Molecular Weight | 257.05 g/mol |
| LogP | 1.68812 |
| Topological Polar Surface Area | 75.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 257.04547 |
| Heavy Atoms | 17 |
| Complexity | 433.47964 |
Chemical Identifiers
| CAS Number | 736971-22-5 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)COCC(=O)O)Cl |
Product Overview
{2-[(3-Chloro-4-methylphenyl)amino]-2-oxoethoxy}acetic acid (CAS 736971-22-5), with molecular formula C11H12ClNO4 and molecular weight 257.05 g/mol. IUPAC: 2-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]acetic acid.
Chemical Property Profile of {2-[(3-Chloro-4-methylphenyl)amino]-2-oxoethoxy}acetic acid
Property Insights of {2-[(3-Chloro-4-methylphenyl)amino]-2-oxoethoxy}acetic acid
The XLogP value of 1.68812 suggests moderate lipophilicity, balancing water solubility and membrane permeability for {2-[(3-Chloro-4-methylphenyl)amino]-2-oxoethoxy}acetic acid. The TPSA of 75.63 Ų falls within the moderate polarity range, balancing permeability and solubility for {2-[(3-Chloro-4-methylphenyl)amino]-2-oxoethoxy}acetic acid. Following Lipinski's Rule of Five, {2-[(3-Chloro-4-methylphenyl)amino]-2-oxoethoxy}acetic 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 {2-[(3-Chloro-4-methylphenyl)amino]-2-oxoethoxy}acetic acid?
The CAS number of {2-[(3-Chloro-4-methylphenyl)amino]-2-oxoethoxy}acetic acid is 736971-22-5.
What is the molecular formula of {2-[(3-Chloro-4-methylphenyl)amino]-2-oxoethoxy}acetic acid?
The molecular formula of {2-[(3-Chloro-4-methylphenyl)amino]-2-oxoethoxy}acetic acid is C11H12ClNO4.
What is the molecular weight of {2-[(3-Chloro-4-methylphenyl)amino]-2-oxoethoxy}acetic acid?
The molecular weight of {2-[(3-Chloro-4-methylphenyl)amino]-2-oxoethoxy}acetic acid is 257.05 g/mol.
Where can I buy {2-[(3-Chloro-4-methylphenyl)amino]-2-oxoethoxy}acetic acid?
You can request a quote for {2-[(3-Chloro-4-methylphenyl)amino]-2-oxoethoxy}acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for {2-[(3-Chloro-4-methylphenyl)amino]-2-oxoethoxy}acetic acid?
Yes, KEHONG BIO provides custom synthesis services for {2-[(3-Chloro-4-methylphenyl)amino]-2-oxoethoxy}acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.