2-Cyanophenyl 5,6-dichloropyridine-3-carboxylate
TL;DR: 2-Cyanophenyl 5,6-dichloropyridine-3-carboxylate (CAS 930947-45-8) is a chemical compound with molecular formula C13H6Cl2N2O2 and molecular weight 291.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-cyanophenyl) 5,6-dichloropyridine-3-carboxylate
Also Known As: 2-cyanophenyl 5,6-dichloropyridine-3-carboxylate, (2-cyanophenyl) 5,6-dichloropyridine-3-carboxylate
| Molecular Formula | C13H6Cl2N2O2 |
|---|---|
| Molecular Weight | 291.98 g/mol |
| LogP | 3.47928 |
| Topological Polar Surface Area | 62.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 291.98062 |
| Heavy Atoms | 19 |
| Complexity | 680.5837 |
Chemical Identifiers
| CAS Number | 930947-45-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C#N)OC(=O)C2=CC(=C(N=C2)Cl)Cl |
Product Overview
2-Cyanophenyl 5,6-dichloropyridine-3-carboxylate (CAS 930947-45-8), with molecular formula C13H6Cl2N2O2 and molecular weight 291.98 g/mol. IUPAC: (2-cyanophenyl) 5,6-dichloropyridine-3-carboxylate.
Chemical Property Profile of 2-Cyanophenyl 5,6-dichloropyridine-3-carboxylate
Property Insights of 2-Cyanophenyl 5,6-dichloropyridine-3-carboxylate
The XLogP value of 3.47928 indicates that 2-Cyanophenyl 5,6-dichloropyridine-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Cyanophenyl 5,6-dichloropyridine-3-carboxylate. Following Lipinski's Rule of Five, 2-Cyanophenyl 5,6-dichloropyridine-3-carboxylate has 0 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 2-Cyanophenyl 5,6-dichloropyridine-3-carboxylate?
The CAS number of 2-Cyanophenyl 5,6-dichloropyridine-3-carboxylate is 930947-45-8.
What is the molecular formula of 2-Cyanophenyl 5,6-dichloropyridine-3-carboxylate?
The molecular formula of 2-Cyanophenyl 5,6-dichloropyridine-3-carboxylate is C13H6Cl2N2O2.
What is the molecular weight of 2-Cyanophenyl 5,6-dichloropyridine-3-carboxylate?
The molecular weight of 2-Cyanophenyl 5,6-dichloropyridine-3-carboxylate is 291.98 g/mol.
Where can I buy 2-Cyanophenyl 5,6-dichloropyridine-3-carboxylate?
You can request a quote for 2-Cyanophenyl 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-Cyanophenyl 5,6-dichloropyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyanophenyl 5,6-dichloropyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.