2-((2-Methylbenzyl)amino)-2-oxoethyl 2-chlorobenzoate
TL;DR: 2-((2-Methylbenzyl)amino)-2-oxoethyl 2-chlorobenzoate (CAS 1241992-59-5) is a chemical compound with molecular formula C17H16ClNO3 and molecular weight 317.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(2-methylphenyl)methylamino]-2-oxoethyl] 2-chlorobenzoate
Also Known As: 2-((2-methylbenzyl)amino)-2-oxoethyl 2-chlorobenzoate, {[(2-methylphenyl)methyl]carbamoyl}methyl 2-chlorobenzoate, [2-[(2-methylphenyl)methylamino]-2-oxoethyl] 2-chlorobenzoate, 2-[(2-methylbenzyl)amino]-2-oxoethyl 2-chlorobenzoate, F6609-3631
| Molecular Formula | C17H16ClNO3 |
|---|---|
| Molecular Weight | 317.08 g/mol |
| LogP | 3.12162 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 317.08188 |
| Heavy Atoms | 22 |
| Complexity | 685.1092 |
Chemical Identifiers
| CAS Number | 1241992-59-5 |
|---|---|
| SMILES | CC1=CC=CC=C1CNC(=O)COC(=O)C2=CC=CC=C2Cl |
Product Overview
2-((2-Methylbenzyl)amino)-2-oxoethyl 2-chlorobenzoate (CAS 1241992-59-5), with molecular formula C17H16ClNO3 and molecular weight 317.08 g/mol. IUPAC: [2-[(2-methylphenyl)methylamino]-2-oxoethyl] 2-chlorobenzoate.
Chemical Property Profile of 2-((2-Methylbenzyl)amino)-2-oxoethyl 2-chlorobenzoate
Property Insights of 2-((2-Methylbenzyl)amino)-2-oxoethyl 2-chlorobenzoate
The XLogP value of 3.12162 indicates that 2-((2-Methylbenzyl)amino)-2-oxoethyl 2-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-((2-Methylbenzyl)amino)-2-oxoethyl 2-chlorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((2-Methylbenzyl)amino)-2-oxoethyl 2-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-((2-Methylbenzyl)amino)-2-oxoethyl 2-chlorobenzoate?
The CAS number of 2-((2-Methylbenzyl)amino)-2-oxoethyl 2-chlorobenzoate is 1241992-59-5.
What is the molecular formula of 2-((2-Methylbenzyl)amino)-2-oxoethyl 2-chlorobenzoate?
The molecular formula of 2-((2-Methylbenzyl)amino)-2-oxoethyl 2-chlorobenzoate is C17H16ClNO3.
What is the molecular weight of 2-((2-Methylbenzyl)amino)-2-oxoethyl 2-chlorobenzoate?
The molecular weight of 2-((2-Methylbenzyl)amino)-2-oxoethyl 2-chlorobenzoate is 317.08 g/mol.
Where can I buy 2-((2-Methylbenzyl)amino)-2-oxoethyl 2-chlorobenzoate?
You can request a quote for 2-((2-Methylbenzyl)amino)-2-oxoethyl 2-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-Methylbenzyl)amino)-2-oxoethyl 2-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-((2-Methylbenzyl)amino)-2-oxoethyl 2-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.