2-Hydroxy-4-methylbenzoic acid [2-(2-chloroanilino)-2-oxoethyl] ester
TL;DR: 2-Hydroxy-4-methylbenzoic acid [2-(2-chloroanilino)-2-oxoethyl] ester (CAS 730249-53-3) is a chemical compound with molecular formula C16H14ClNO4 and molecular weight 319.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(2-chloroanilino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
Also Known As: [2-(2-chloroanilino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate|2-hydroxy-4-methylbenzoic acid [2-(2-chloroanilino)-2-oxoethyl] ester|2-(2-Chloroanilino)-2-oxoethyl 2-hydroxy-4-methylbenzoate|MLS001003011|SMR000372656
| Molecular Formula | C16H14ClNO4 |
|---|---|
| Molecular Weight | 319.06 g/mol |
| LogP | 3.14952 |
| Topological Polar Surface Area | 75.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 319.06113 |
| Heavy Atoms | 22 |
| Complexity | 715.04205 |
Chemical Identifiers
| CAS Number | 730249-53-3 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C(=O)OCC(=O)NC2=CC=CC=C2Cl)O |
Product Overview
2-Hydroxy-4-methylbenzoic acid [2-(2-chloroanilino)-2-oxoethyl] ester (CAS 730249-53-3), with molecular formula C16H14ClNO4 and molecular weight 319.06 g/mol. IUPAC: [2-(2-chloroanilino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate.
Chemical Property Profile of 2-Hydroxy-4-methylbenzoic acid [2-(2-chloroanilino)-2-oxoethyl] ester
Property Insights of 2-Hydroxy-4-methylbenzoic acid [2-(2-chloroanilino)-2-oxoethyl] ester
The XLogP value of 3.14952 indicates that 2-Hydroxy-4-methylbenzoic acid [2-(2-chloroanilino)-2-oxoethyl] ester 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 2-Hydroxy-4-methylbenzoic acid [2-(2-chloroanilino)-2-oxoethyl] ester. Following Lipinski's Rule of Five, 2-Hydroxy-4-methylbenzoic acid [2-(2-chloroanilino)-2-oxoethyl] ester 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 2-Hydroxy-4-methylbenzoic acid [2-(2-chloroanilino)-2-oxoethyl] ester?
The CAS number of 2-Hydroxy-4-methylbenzoic acid [2-(2-chloroanilino)-2-oxoethyl] ester is 730249-53-3.
What is the molecular formula of 2-Hydroxy-4-methylbenzoic acid [2-(2-chloroanilino)-2-oxoethyl] ester?
The molecular formula of 2-Hydroxy-4-methylbenzoic acid [2-(2-chloroanilino)-2-oxoethyl] ester is C16H14ClNO4.
What is the molecular weight of 2-Hydroxy-4-methylbenzoic acid [2-(2-chloroanilino)-2-oxoethyl] ester?
The molecular weight of 2-Hydroxy-4-methylbenzoic acid [2-(2-chloroanilino)-2-oxoethyl] ester is 319.06 g/mol.
Where can I buy 2-Hydroxy-4-methylbenzoic acid [2-(2-chloroanilino)-2-oxoethyl] ester?
You can request a quote for 2-Hydroxy-4-methylbenzoic acid [2-(2-chloroanilino)-2-oxoethyl] ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Hydroxy-4-methylbenzoic acid [2-(2-chloroanilino)-2-oxoethyl] ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Hydroxy-4-methylbenzoic acid [2-(2-chloroanilino)-2-oxoethyl] ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.