2-(3-Chloro-4-methylanilino)-2-oxoethyl 3-chlorobenzoate
TL;DR: 2-(3-Chloro-4-methylanilino)-2-oxoethyl 3-chlorobenzoate (CAS 387864-52-0) is a chemical compound with molecular formula C16H13Cl2NO3 and molecular weight 337.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 3-chlorobenzoate
Also Known As: 2-(3-chloro-4-methylanilino)-2-oxoethyl 3-chlorobenzoate, AN-989/42292899, [2-(3-chloro-4-methylanilino)-2-oxoethyl] 3-chlorobenzoate, 2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl 3-chlorobenzoate
| Molecular Formula | C16H13Cl2NO3 |
|---|---|
| Molecular Weight | 337.03 g/mol |
| LogP | 4.09732 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 337.02725 |
| Heavy Atoms | 22 |
| Complexity | 716.2872 |
Chemical Identifiers
| CAS Number | 387864-52-0 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC(=CC=C2)Cl)Cl |
Product Overview
2-(3-Chloro-4-methylanilino)-2-oxoethyl 3-chlorobenzoate (CAS 387864-52-0), with molecular formula C16H13Cl2NO3 and molecular weight 337.03 g/mol. IUPAC: [2-(3-chloro-4-methylanilino)-2-oxoethyl] 3-chlorobenzoate.
Chemical Property Profile of 2-(3-Chloro-4-methylanilino)-2-oxoethyl 3-chlorobenzoate
Property Insights of 2-(3-Chloro-4-methylanilino)-2-oxoethyl 3-chlorobenzoate
The XLogP value of 4.09732 indicates that 2-(3-Chloro-4-methylanilino)-2-oxoethyl 3-chlorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, 2-(3-Chloro-4-methylanilino)-2-oxoethyl 3-chlorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-Chloro-4-methylanilino)-2-oxoethyl 3-chlorobenzoate has 1 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-methylanilino)-2-oxoethyl 3-chlorobenzoate?
The CAS number of 2-(3-Chloro-4-methylanilino)-2-oxoethyl 3-chlorobenzoate is 387864-52-0.
What is the molecular formula of 2-(3-Chloro-4-methylanilino)-2-oxoethyl 3-chlorobenzoate?
The molecular formula of 2-(3-Chloro-4-methylanilino)-2-oxoethyl 3-chlorobenzoate is C16H13Cl2NO3.
What is the molecular weight of 2-(3-Chloro-4-methylanilino)-2-oxoethyl 3-chlorobenzoate?
The molecular weight of 2-(3-Chloro-4-methylanilino)-2-oxoethyl 3-chlorobenzoate is 337.03 g/mol.
Where can I buy 2-(3-Chloro-4-methylanilino)-2-oxoethyl 3-chlorobenzoate?
You can request a quote for 2-(3-Chloro-4-methylanilino)-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-(3-Chloro-4-methylanilino)-2-oxoethyl 3-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Chloro-4-methylanilino)-2-oxoethyl 3-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.