(Benzylcarbamoyl)methyl 5,6-dichloropyridine-3-carboxylate
TL;DR: (Benzylcarbamoyl)methyl 5,6-dichloropyridine-3-carboxylate (CAS 380437-67-2) is a chemical compound with molecular formula C15H12Cl2N2O3 and molecular weight 338.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(benzylamino)-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate
Also Known As: (benzylcarbamoyl)methyl 5,6-dichloropyridine-3-carboxylate, [2-(benzylamino)-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate
| Molecular Formula | C15H12Cl2N2O3 |
|---|---|
| Molecular Weight | 338.02 g/mol |
| LogP | 2.8616 |
| Topological Polar Surface Area | 68.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 338.0225 |
| Heavy Atoms | 22 |
| Complexity | 677.74274 |
Chemical Identifiers
| CAS Number | 380437-67-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(=O)COC(=O)C2=CC(=C(N=C2)Cl)Cl |
Product Overview
(Benzylcarbamoyl)methyl 5,6-dichloropyridine-3-carboxylate (CAS 380437-67-2), with molecular formula C15H12Cl2N2O3 and molecular weight 338.02 g/mol. IUPAC: [2-(benzylamino)-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate.
Chemical Property Profile of (Benzylcarbamoyl)methyl 5,6-dichloropyridine-3-carboxylate
Property Insights of (Benzylcarbamoyl)methyl 5,6-dichloropyridine-3-carboxylate
The XLogP value of 2.8616 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Benzylcarbamoyl)methyl 5,6-dichloropyridine-3-carboxylate. The TPSA of 68.29 Ų falls within the moderate polarity range, balancing permeability and solubility for (Benzylcarbamoyl)methyl 5,6-dichloropyridine-3-carboxylate. Following Lipinski's Rule of Five, (Benzylcarbamoyl)methyl 5,6-dichloropyridine-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
Frequently Asked Questions
What is the CAS number of (Benzylcarbamoyl)methyl 5,6-dichloropyridine-3-carboxylate?
The CAS number of (Benzylcarbamoyl)methyl 5,6-dichloropyridine-3-carboxylate is 380437-67-2.
What is the molecular formula of (Benzylcarbamoyl)methyl 5,6-dichloropyridine-3-carboxylate?
The molecular formula of (Benzylcarbamoyl)methyl 5,6-dichloropyridine-3-carboxylate is C15H12Cl2N2O3.
What is the molecular weight of (Benzylcarbamoyl)methyl 5,6-dichloropyridine-3-carboxylate?
The molecular weight of (Benzylcarbamoyl)methyl 5,6-dichloropyridine-3-carboxylate is 338.02 g/mol.
Where can I buy (Benzylcarbamoyl)methyl 5,6-dichloropyridine-3-carboxylate?
You can request a quote for (Benzylcarbamoyl)methyl 5,6-dichloropyridine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Benzylcarbamoyl)methyl 5,6-dichloropyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (Benzylcarbamoyl)methyl 5,6-dichloropyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.