6-Chloro-nicotinic acid benzylcarbamoyl-methyl ester
TL;DR: 6-Chloro-nicotinic acid benzylcarbamoyl-methyl ester (CAS 380573-85-3) is a chemical compound with molecular formula C15H13ClN2O3 and molecular weight 304.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(benzylamino)-2-oxoethyl] 6-chloropyridine-3-carboxylate
Also Known As: BAS 07461773, 6-Chloro-nicotinic acid benzylcarbamoyl-methyl ester, [2-(benzylamino)-2-oxoethyl] 6-chloropyridine-3-carboxylate, [N-benzylcarbamoyl]methyl 6-chloropyridine-3-carboxylate, 2-(benzylamino)-2-oxoethyl 6-chloropyridine-3-carboxylate
| Molecular Formula | C15H13ClN2O3 |
|---|---|
| Molecular Weight | 304.06 g/mol |
| LogP | 2.2082 |
| Topological Polar Surface Area | 68.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 304.06146 |
| Heavy Atoms | 21 |
| Complexity | 614.5757 |
Chemical Identifiers
| CAS Number | 380573-85-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(=O)COC(=O)C2=CN=C(C=C2)Cl |
Product Overview
6-Chloro-nicotinic acid benzylcarbamoyl-methyl ester (CAS 380573-85-3), with molecular formula C15H13ClN2O3 and molecular weight 304.06 g/mol. IUPAC: [2-(benzylamino)-2-oxoethyl] 6-chloropyridine-3-carboxylate.
Chemical Property Profile of 6-Chloro-nicotinic acid benzylcarbamoyl-methyl ester
Property Insights of 6-Chloro-nicotinic acid benzylcarbamoyl-methyl ester
The XLogP value of 2.2082 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Chloro-nicotinic acid benzylcarbamoyl-methyl ester. The TPSA of 68.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Chloro-nicotinic acid benzylcarbamoyl-methyl ester. Following Lipinski's Rule of Five, 6-Chloro-nicotinic acid benzylcarbamoyl-methyl ester 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 6-Chloro-nicotinic acid benzylcarbamoyl-methyl ester?
The CAS number of 6-Chloro-nicotinic acid benzylcarbamoyl-methyl ester is 380573-85-3.
What is the molecular formula of 6-Chloro-nicotinic acid benzylcarbamoyl-methyl ester?
The molecular formula of 6-Chloro-nicotinic acid benzylcarbamoyl-methyl ester is C15H13ClN2O3.
What is the molecular weight of 6-Chloro-nicotinic acid benzylcarbamoyl-methyl ester?
The molecular weight of 6-Chloro-nicotinic acid benzylcarbamoyl-methyl ester is 304.06 g/mol.
Where can I buy 6-Chloro-nicotinic acid benzylcarbamoyl-methyl ester?
You can request a quote for 6-Chloro-nicotinic acid benzylcarbamoyl-methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Chloro-nicotinic acid benzylcarbamoyl-methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 6-Chloro-nicotinic acid benzylcarbamoyl-methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.