![[(3-Cyanophenyl)carbamoyl]methyl 3,6-dichloropyridine-2-carboxylate structure](/static/products/7289/728926-71-4.webp)
[(3-Cyanophenyl)carbamoyl]methyl 3,6-dichloropyridine-2-carboxylate
TL;DR: [(3-Cyanophenyl)carbamoyl]methyl 3,6-dichloropyridine-2-carboxylate (CAS 728926-71-4) is a chemical compound with molecular formula C15H9Cl2N3O3 and molecular weight 349.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(3-cyanoanilino)-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate
Also Known As: AB00717791-01, [(3-cyanophenyl)carbamoyl]methyl 3,6-dichloropyridine-2-carboxylate, [2-(3-cyanoanilino)-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate
| Molecular Formula | C15H9Cl2N3O3 |
|---|---|
| Molecular Weight | 349.00 g/mol |
| LogP | 3.05558 |
| Topological Polar Surface Area | 92.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 349.0021 |
| Heavy Atoms | 23 |
| Complexity | 802.7944 |
Chemical Identifiers
| CAS Number | 728926-71-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC(=O)COC(=O)C2=C(C=CC(=N2)Cl)Cl)C#N |
Product Overview
[(3-Cyanophenyl)carbamoyl]methyl 3,6-dichloropyridine-2-carboxylate (CAS 728926-71-4), with molecular formula C15H9Cl2N3O3 and molecular weight 349.00 g/mol. IUPAC: [2-(3-cyanoanilino)-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate.
Chemical Property Profile of [(3-Cyanophenyl)carbamoyl]methyl 3,6-dichloropyridine-2-carboxylate
Property Insights of [(3-Cyanophenyl)carbamoyl]methyl 3,6-dichloropyridine-2-carboxylate
The XLogP value of 3.05558 indicates that [(3-Cyanophenyl)carbamoyl]methyl 3,6-dichloropyridine-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.08 Ų falls within the moderate polarity range, balancing permeability and solubility for [(3-Cyanophenyl)carbamoyl]methyl 3,6-dichloropyridine-2-carboxylate. Following Lipinski's Rule of Five, [(3-Cyanophenyl)carbamoyl]methyl 3,6-dichloropyridine-2-carboxylate has 1 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 [(3-Cyanophenyl)carbamoyl]methyl 3,6-dichloropyridine-2-carboxylate?
The CAS number of [(3-Cyanophenyl)carbamoyl]methyl 3,6-dichloropyridine-2-carboxylate is 728926-71-4.
What is the molecular formula of [(3-Cyanophenyl)carbamoyl]methyl 3,6-dichloropyridine-2-carboxylate?
The molecular formula of [(3-Cyanophenyl)carbamoyl]methyl 3,6-dichloropyridine-2-carboxylate is C15H9Cl2N3O3.
What is the molecular weight of [(3-Cyanophenyl)carbamoyl]methyl 3,6-dichloropyridine-2-carboxylate?
The molecular weight of [(3-Cyanophenyl)carbamoyl]methyl 3,6-dichloropyridine-2-carboxylate is 349.00 g/mol.
Where can I buy [(3-Cyanophenyl)carbamoyl]methyl 3,6-dichloropyridine-2-carboxylate?
You can request a quote for [(3-Cyanophenyl)carbamoyl]methyl 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 [(3-Cyanophenyl)carbamoyl]methyl 3,6-dichloropyridine-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for [(3-Cyanophenyl)carbamoyl]methyl 3,6-dichloropyridine-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.