2-((2-Methylbenzyl)amino)-2-oxoethyl 4-chlorobenzoate
TL;DR: 2-((2-Methylbenzyl)amino)-2-oxoethyl 4-chlorobenzoate (CAS 1241970-56-8) 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] 4-chlorobenzoate
Also Known As: 2-((2-methylbenzyl)amino)-2-oxoethyl 4-chlorobenzoate, {[(2-methylphenyl)methyl]carbamoyl}methyl 4-chlorobenzoate, [2-[(2-methylphenyl)methylamino]-2-oxoethyl] 4-chlorobenzoate, 2-[(2-methylbenzyl)amino]-2-oxoethyl 4-chlorobenzoate, F6609-3643
| 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 | 667.8592 |
Chemical Identifiers
| CAS Number | 1241970-56-8 |
|---|---|
| SMILES | CC1=CC=CC=C1CNC(=O)COC(=O)C2=CC=C(C=C2)Cl |
Product Overview
2-((2-Methylbenzyl)amino)-2-oxoethyl 4-chlorobenzoate (CAS 1241970-56-8), with molecular formula C17H16ClNO3 and molecular weight 317.08 g/mol. IUPAC: [2-[(2-methylphenyl)methylamino]-2-oxoethyl] 4-chlorobenzoate.
Chemical Property Profile of 2-((2-Methylbenzyl)amino)-2-oxoethyl 4-chlorobenzoate
Property Insights of 2-((2-Methylbenzyl)amino)-2-oxoethyl 4-chlorobenzoate
The XLogP value of 3.12162 indicates that 2-((2-Methylbenzyl)amino)-2-oxoethyl 4-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 4-chlorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((2-Methylbenzyl)amino)-2-oxoethyl 4-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 4-chlorobenzoate?
The CAS number of 2-((2-Methylbenzyl)amino)-2-oxoethyl 4-chlorobenzoate is 1241970-56-8.
What is the molecular formula of 2-((2-Methylbenzyl)amino)-2-oxoethyl 4-chlorobenzoate?
The molecular formula of 2-((2-Methylbenzyl)amino)-2-oxoethyl 4-chlorobenzoate is C17H16ClNO3.
What is the molecular weight of 2-((2-Methylbenzyl)amino)-2-oxoethyl 4-chlorobenzoate?
The molecular weight of 2-((2-Methylbenzyl)amino)-2-oxoethyl 4-chlorobenzoate is 317.08 g/mol.
Where can I buy 2-((2-Methylbenzyl)amino)-2-oxoethyl 4-chlorobenzoate?
You can request a quote for 2-((2-Methylbenzyl)amino)-2-oxoethyl 4-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 4-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-((2-Methylbenzyl)amino)-2-oxoethyl 4-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.