4-(Cyanomethyl)phenyl 2,6-dichloroisonicotinate
TL;DR: 4-(Cyanomethyl)phenyl 2,6-dichloroisonicotinate (CAS 287978-83-0) is a chemical compound with molecular formula C14H8Cl2N2O2 and molecular weight 306.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(cyanomethyl)phenyl] 2,6-dichloropyridine-4-carboxylate
Also Known As: 4-(cyanomethyl)phenyl 2,6-dichloroisonicotinate, [4-(cyanomethyl)phenyl] 2,6-dichloropyridine-4-carboxylate, 4-(cyanomethyl)phenyl 2,6-dichloropyridine-4-carboxylate
| Molecular Formula | C14H8Cl2N2O2 |
|---|---|
| Molecular Weight | 306.00 g/mol |
| LogP | 3.67368 |
| Topological Polar Surface Area | 62.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 305.99628 |
| Heavy Atoms | 20 |
| Complexity | 658.31354 |
Chemical Identifiers
| CAS Number | 287978-83-0 |
|---|---|
| SMILES | C1=CC(=CC=C1CC#N)OC(=O)C2=CC(=NC(=C2)Cl)Cl |
Product Overview
4-(Cyanomethyl)phenyl 2,6-dichloroisonicotinate (CAS 287978-83-0), with molecular formula C14H8Cl2N2O2 and molecular weight 306.00 g/mol. IUPAC: [4-(cyanomethyl)phenyl] 2,6-dichloropyridine-4-carboxylate.
Chemical Property Profile of 4-(Cyanomethyl)phenyl 2,6-dichloroisonicotinate
Property Insights of 4-(Cyanomethyl)phenyl 2,6-dichloroisonicotinate
The XLogP value of 3.67368 indicates that 4-(Cyanomethyl)phenyl 2,6-dichloroisonicotinate 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 4-(Cyanomethyl)phenyl 2,6-dichloroisonicotinate. Following Lipinski's Rule of Five, 4-(Cyanomethyl)phenyl 2,6-dichloroisonicotinate 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 4-(Cyanomethyl)phenyl 2,6-dichloroisonicotinate?
The CAS number of 4-(Cyanomethyl)phenyl 2,6-dichloroisonicotinate is 287978-83-0.
What is the molecular formula of 4-(Cyanomethyl)phenyl 2,6-dichloroisonicotinate?
The molecular formula of 4-(Cyanomethyl)phenyl 2,6-dichloroisonicotinate is C14H8Cl2N2O2.
What is the molecular weight of 4-(Cyanomethyl)phenyl 2,6-dichloroisonicotinate?
The molecular weight of 4-(Cyanomethyl)phenyl 2,6-dichloroisonicotinate is 306.00 g/mol.
Where can I buy 4-(Cyanomethyl)phenyl 2,6-dichloroisonicotinate?
You can request a quote for 4-(Cyanomethyl)phenyl 2,6-dichloroisonicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Cyanomethyl)phenyl 2,6-dichloroisonicotinate?
Yes, KEHONG BIO provides custom synthesis services for 4-(Cyanomethyl)phenyl 2,6-dichloroisonicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.