![[(2-Cyanoethyl)(methyl)carbamoyl]methyl 5,6-dichloropyridine-3-carboxylate structure](/static/products/930/930676-21-4.png)
[(2-Cyanoethyl)(methyl)carbamoyl]methyl 5,6-dichloropyridine-3-carboxylate
TL;DR: [(2-Cyanoethyl)(methyl)carbamoyl]methyl 5,6-dichloropyridine-3-carboxylate (CAS 930676-21-4) is a chemical compound with molecular formula C12H11Cl2N3O3 and molecular weight 315.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate
Also Known As: [(2-cyanoethyl)(methyl)carbamoyl]methyl 5,6-dichloropyridine-3-carboxylate|[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate|EN300-26588298
| Molecular Formula | C12H11Cl2N3O3 |
|---|---|
| Molecular Weight | 315.02 g/mol |
| LogP | 1.91728 |
| Topological Polar Surface Area | 83.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 315.01776 |
| Heavy Atoms | 20 |
| Complexity | 557.3688 |
Chemical Identifiers
| CAS Number | 930676-21-4 |
|---|---|
| SMILES | CN(CCC#N)C(=O)COC(=O)C1=CC(=C(N=C1)Cl)Cl |
Product Overview
[(2-Cyanoethyl)(methyl)carbamoyl]methyl 5,6-dichloropyridine-3-carboxylate (CAS 930676-21-4), with molecular formula C12H11Cl2N3O3 and molecular weight 315.02 g/mol. IUPAC: [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate.
Chemical Property Profile of [(2-Cyanoethyl)(methyl)carbamoyl]methyl 5,6-dichloropyridine-3-carboxylate
Property Insights of [(2-Cyanoethyl)(methyl)carbamoyl]methyl 5,6-dichloropyridine-3-carboxylate
The XLogP value of 1.91728 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(2-Cyanoethyl)(methyl)carbamoyl]methyl 5,6-dichloropyridine-3-carboxylate. The TPSA of 83.29 Ų falls within the moderate polarity range, balancing permeability and solubility for [(2-Cyanoethyl)(methyl)carbamoyl]methyl 5,6-dichloropyridine-3-carboxylate. Following Lipinski's Rule of Five, [(2-Cyanoethyl)(methyl)carbamoyl]methyl 5,6-dichloropyridine-3-carboxylate has 0 hydrogen bond donor(s) and 5 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-Cyanoethyl)(methyl)carbamoyl]methyl 5,6-dichloropyridine-3-carboxylate?
The CAS number of [(2-Cyanoethyl)(methyl)carbamoyl]methyl 5,6-dichloropyridine-3-carboxylate is 930676-21-4.
What is the molecular formula of [(2-Cyanoethyl)(methyl)carbamoyl]methyl 5,6-dichloropyridine-3-carboxylate?
The molecular formula of [(2-Cyanoethyl)(methyl)carbamoyl]methyl 5,6-dichloropyridine-3-carboxylate is C12H11Cl2N3O3.
What is the molecular weight of [(2-Cyanoethyl)(methyl)carbamoyl]methyl 5,6-dichloropyridine-3-carboxylate?
The molecular weight of [(2-Cyanoethyl)(methyl)carbamoyl]methyl 5,6-dichloropyridine-3-carboxylate is 315.02 g/mol.
Where can I buy [(2-Cyanoethyl)(methyl)carbamoyl]methyl 5,6-dichloropyridine-3-carboxylate?
You can request a quote for [(2-Cyanoethyl)(methyl)carbamoyl]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 [(2-Cyanoethyl)(methyl)carbamoyl]methyl 5,6-dichloropyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for [(2-Cyanoethyl)(methyl)carbamoyl]methyl 5,6-dichloropyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.