2-(2,4-Dichlorophenyl)-2-oxoethyl 2-(methylamino)benzoate
TL;DR: 2-(2,4-Dichlorophenyl)-2-oxoethyl 2-(methylamino)benzoate (CAS 431978-84-6) 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-(2,4-dichlorophenyl)-2-oxoethyl] 2-(methylamino)benzoate
Also Known As: 2-(2,4-dichlorophenyl)-2-oxoethyl 2-(methylamino)benzoate, AB00118804-01, [2-(2,4-dichlorophenyl)-2-oxoethyl] 2-(methylamino)benzoate
| Molecular Formula | C16H13Cl2NO3 |
|---|---|
| Molecular Weight | 337.03 g/mol |
| LogP | 4.0748 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 337.02725 |
| Heavy Atoms | 22 |
| Complexity | 716.2872 |
Chemical Identifiers
| CAS Number | 431978-84-6 |
|---|---|
| SMILES | CNC1=CC=CC=C1C(=O)OCC(=O)C2=C(C=C(C=C2)Cl)Cl |
Product Overview
2-(2,4-Dichlorophenyl)-2-oxoethyl 2-(methylamino)benzoate (CAS 431978-84-6), with molecular formula C16H13Cl2NO3 and molecular weight 337.03 g/mol. IUPAC: [2-(2,4-dichlorophenyl)-2-oxoethyl] 2-(methylamino)benzoate.
Chemical Property Profile of 2-(2,4-Dichlorophenyl)-2-oxoethyl 2-(methylamino)benzoate
Property Insights of 2-(2,4-Dichlorophenyl)-2-oxoethyl 2-(methylamino)benzoate
The XLogP value of 4.0748 indicates that 2-(2,4-Dichlorophenyl)-2-oxoethyl 2-(methylamino)benzoate 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-(2,4-Dichlorophenyl)-2-oxoethyl 2-(methylamino)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2,4-Dichlorophenyl)-2-oxoethyl 2-(methylamino)benzoate 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-(2,4-Dichlorophenyl)-2-oxoethyl 2-(methylamino)benzoate?
The CAS number of 2-(2,4-Dichlorophenyl)-2-oxoethyl 2-(methylamino)benzoate is 431978-84-6.
What is the molecular formula of 2-(2,4-Dichlorophenyl)-2-oxoethyl 2-(methylamino)benzoate?
The molecular formula of 2-(2,4-Dichlorophenyl)-2-oxoethyl 2-(methylamino)benzoate is C16H13Cl2NO3.
What is the molecular weight of 2-(2,4-Dichlorophenyl)-2-oxoethyl 2-(methylamino)benzoate?
The molecular weight of 2-(2,4-Dichlorophenyl)-2-oxoethyl 2-(methylamino)benzoate is 337.03 g/mol.
Where can I buy 2-(2,4-Dichlorophenyl)-2-oxoethyl 2-(methylamino)benzoate?
You can request a quote for 2-(2,4-Dichlorophenyl)-2-oxoethyl 2-(methylamino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2,4-Dichlorophenyl)-2-oxoethyl 2-(methylamino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,4-Dichlorophenyl)-2-oxoethyl 2-(methylamino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.