2-(2-Ethoxyanilino)-2-oxoethyl 3-chlorobenzoate
TL;DR: 2-(2-Ethoxyanilino)-2-oxoethyl 3-chlorobenzoate (CAS 6860-39-5) is a chemical compound with molecular formula C17H16ClNO4 and molecular weight 333.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(2-ethoxyanilino)-2-oxoethyl] 3-chlorobenzoate
Also Known As: 2-(2-Ethoxyanilino)-2-oxoethyl 3-chlorobenzoate, [2-(2-ethoxyanilino)-2-oxoethyl] 3-chlorobenzoate, 2-[(2-ethoxyphenyl)amino]-2-oxoethyl 3-chlorobenzoate
| Molecular Formula | C17H16ClNO4 |
|---|---|
| Molecular Weight | 333.08 g/mol |
| LogP | 3.5342 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 333.07678 |
| Heavy Atoms | 23 |
| Complexity | 702.4977 |
Chemical Identifiers
| CAS Number | 6860-39-5 |
|---|---|
| SMILES | CCOC1=CC=CC=C1NC(=O)COC(=O)C2=CC(=CC=C2)Cl |
Product Overview
2-(2-Ethoxyanilino)-2-oxoethyl 3-chlorobenzoate (CAS 6860-39-5), with molecular formula C17H16ClNO4 and molecular weight 333.08 g/mol. IUPAC: [2-(2-ethoxyanilino)-2-oxoethyl] 3-chlorobenzoate.
Chemical Property Profile of 2-(2-Ethoxyanilino)-2-oxoethyl 3-chlorobenzoate
Property Insights of 2-(2-Ethoxyanilino)-2-oxoethyl 3-chlorobenzoate
The XLogP value of 3.5342 indicates that 2-(2-Ethoxyanilino)-2-oxoethyl 3-chlorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-Ethoxyanilino)-2-oxoethyl 3-chlorobenzoate. Following Lipinski's Rule of Five, 2-(2-Ethoxyanilino)-2-oxoethyl 3-chlorobenzoate 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 2-(2-Ethoxyanilino)-2-oxoethyl 3-chlorobenzoate?
The CAS number of 2-(2-Ethoxyanilino)-2-oxoethyl 3-chlorobenzoate is 6860-39-5.
What is the molecular formula of 2-(2-Ethoxyanilino)-2-oxoethyl 3-chlorobenzoate?
The molecular formula of 2-(2-Ethoxyanilino)-2-oxoethyl 3-chlorobenzoate is C17H16ClNO4.
What is the molecular weight of 2-(2-Ethoxyanilino)-2-oxoethyl 3-chlorobenzoate?
The molecular weight of 2-(2-Ethoxyanilino)-2-oxoethyl 3-chlorobenzoate is 333.08 g/mol.
Where can I buy 2-(2-Ethoxyanilino)-2-oxoethyl 3-chlorobenzoate?
You can request a quote for 2-(2-Ethoxyanilino)-2-oxoethyl 3-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Ethoxyanilino)-2-oxoethyl 3-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Ethoxyanilino)-2-oxoethyl 3-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.