2-((2-Methylbenzyl)amino)-2-oxoethyl 3-chlorobenzoate
TL;DR: 2-((2-Methylbenzyl)amino)-2-oxoethyl 3-chlorobenzoate (CAS 1241991-73-0) is a chemical compound with molecular formula C17H16ClNO3 and molecular weight 317.08188 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-[(2-methylphenyl)methylamino]-2-oxoethyl] 3-chlorobenzoate
Also Known As: 2-((2-methylbenzyl)amino)-2-oxoethyl 3-chlorobenzoate, {[(2-methylphenyl)methyl]carbamoyl}methyl 3-chlorobenzoate, [2-[(2-methylphenyl)methylamino]-2-oxoethyl] 3-chlorobenzoate, 2-[(2-methylbenzyl)amino]-2-oxoethyl 3-chlorobenzoate, F6609-3618
Technical Specifications
| Molecular Formula | C17H16ClNO3 |
| Molecular Weight | 317.08188 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 317.08188 Da |
| Heavy Atoms | 22 |
| Complexity | 388.0 |
| SMILES | CC1=CC=CC=C1CNC(=O)COC(=O)C2=CC(=CC=C2)Cl |
| InChIKey | LIXFRJWUQBYMKZ-UHFFFAOYSA-N |
Chemical Property Profile of 2-((2-Methylbenzyl)amino)-2-oxoethyl 3-chlorobenzoate
Property Insights of 2-((2-Methylbenzyl)amino)-2-oxoethyl 3-chlorobenzoate
The XLogP value of 3.6 indicates that 2-((2-Methylbenzyl)amino)-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-((2-Methylbenzyl)amino)-2-oxoethyl 3-chlorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((2-Methylbenzyl)amino)-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
What is the CAS number of 2-((2-Methylbenzyl)amino)-2-oxoethyl 3-chlorobenzoate?
The CAS number of 2-((2-Methylbenzyl)amino)-2-oxoethyl 3-chlorobenzoate is 1241991-73-0.
What is the molecular formula of 2-((2-Methylbenzyl)amino)-2-oxoethyl 3-chlorobenzoate?
The molecular formula of 2-((2-Methylbenzyl)amino)-2-oxoethyl 3-chlorobenzoate is C17H16ClNO3.
What is the molecular weight of 2-((2-Methylbenzyl)amino)-2-oxoethyl 3-chlorobenzoate?
The molecular weight of 2-((2-Methylbenzyl)amino)-2-oxoethyl 3-chlorobenzoate is 317.08188 g/mol.
Where can I buy 2-((2-Methylbenzyl)amino)-2-oxoethyl 3-chlorobenzoate?
You can request a quote for 2-((2-Methylbenzyl)amino)-2-oxoethyl 3-chlorobenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-((2-Methylbenzyl)amino)-2-oxoethyl 3-chlorobenzoate?
Yes, CoreyChem provides custom synthesis services for 2-((2-Methylbenzyl)amino)-2-oxoethyl 3-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.