![[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate structure](/static/products/1003/1003727-99-8.webp)
[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate
TL;DR: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate (CAS 1003727-99-8) is a chemical compound with molecular formula C17H13Cl2N3O3 and molecular weight 377.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate
Also Known As: [(2-CYANOETHYL)(PHENYL)CARBAMOYL]METHYL 3,6-DICHLOROPYRIDINE-2-CARBOXYLATE|[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate|MLS001128135|SMR000714627|EN300-26602774
| Molecular Formula | C17H13Cl2N3O3 |
|---|---|
| Molecular Weight | 377.03 g/mol |
| LogP | 3.49208 |
| Topological Polar Surface Area | 83.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 377.0334 |
| Heavy Atoms | 25 |
| Complexity | 806.5305 |
Chemical Identifiers
| CAS Number | 1003727-99-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)C2=C(C=CC(=N2)Cl)Cl |
Product Overview
[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate (CAS 1003727-99-8), with molecular formula C17H13Cl2N3O3 and molecular weight 377.03 g/mol. IUPAC: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate.
Chemical Property Profile of [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate
Property Insights of [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate
The XLogP value of 3.49208 indicates that [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.29 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate. Following Lipinski's Rule of Five, [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 3,6-dichloropyridine-2-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-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate?
The CAS number of [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate is 1003727-99-8.
What is the molecular formula of [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate?
The molecular formula of [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate is C17H13Cl2N3O3.
What is the molecular weight of [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate?
The molecular weight of [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate is 377.03 g/mol.
Where can I buy [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate?
You can request a quote for [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.