![2-[(3-Chlorobenzyl)amino]-2-oxoethyl 5-bromopyridine-3-carboxylate structure](/static/products/120/1208733-13-4.webp)
2-[(3-Chlorobenzyl)amino]-2-oxoethyl 5-bromopyridine-3-carboxylate
TL;DR: 2-[(3-Chlorobenzyl)amino]-2-oxoethyl 5-bromopyridine-3-carboxylate (CAS 1208733-13-4) is a chemical compound with molecular formula C15H12BrClN2O3 and molecular weight 381.972 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 5-bromopyridine-3-carboxylate
Also Known As: 2-((3-chlorobenzyl)amino)-2-oxoethyl 5-bromonicotinate, {[(3-chlorophenyl)methyl]carbamoyl}methyl 5-bromopyridine-3-carboxylate, F6609-1896, 2-[(3-chlorobenzyl)amino]-2-oxoethyl 5-bromopyridine-3-carboxylate, [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 5-bromopyridine-3-carboxylate
Technical Specifications
| Molecular Formula | C15H12BrClN2O3 |
| Molecular Weight | 381.972 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 68.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 381.972 Da |
| Heavy Atoms | 22 |
| Complexity | 397.0 |
| SMILES | C1=CC(=CC(=C1)Cl)CNC(=O)COC(=O)C2=CC(=CN=C2)Br |
| InChIKey | PKJNOPOSGXXWPG-UHFFFAOYSA-N |
Chemical Property Profile of 2-[(3-Chlorobenzyl)amino]-2-oxoethyl 5-bromopyridine-3-carboxylate
Property Insights of 2-[(3-Chlorobenzyl)amino]-2-oxoethyl 5-bromopyridine-3-carboxylate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(3-Chlorobenzyl)amino]-2-oxoethyl 5-bromopyridine-3-carboxylate. The TPSA of 68.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(3-Chlorobenzyl)amino]-2-oxoethyl 5-bromopyridine-3-carboxylate. Following Lipinski's Rule of Five, 2-[(3-Chlorobenzyl)amino]-2-oxoethyl 5-bromopyridine-3-carboxylate 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
What is the CAS number of 2-[(3-Chlorobenzyl)amino]-2-oxoethyl 5-bromopyridine-3-carboxylate?
The CAS number of 2-[(3-Chlorobenzyl)amino]-2-oxoethyl 5-bromopyridine-3-carboxylate is 1208733-13-4.
What is the molecular formula of 2-[(3-Chlorobenzyl)amino]-2-oxoethyl 5-bromopyridine-3-carboxylate?
The molecular formula of 2-[(3-Chlorobenzyl)amino]-2-oxoethyl 5-bromopyridine-3-carboxylate is C15H12BrClN2O3.
What is the molecular weight of 2-[(3-Chlorobenzyl)amino]-2-oxoethyl 5-bromopyridine-3-carboxylate?
The molecular weight of 2-[(3-Chlorobenzyl)amino]-2-oxoethyl 5-bromopyridine-3-carboxylate is 381.972 g/mol.
Where can I buy 2-[(3-Chlorobenzyl)amino]-2-oxoethyl 5-bromopyridine-3-carboxylate?
You can request a quote for 2-[(3-Chlorobenzyl)amino]-2-oxoethyl 5-bromopyridine-3-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-[(3-Chlorobenzyl)amino]-2-oxoethyl 5-bromopyridine-3-carboxylate?
Yes, CoreyChem provides custom synthesis services for 2-[(3-Chlorobenzyl)amino]-2-oxoethyl 5-bromopyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.