4-Chlorophenyl 2-chloroisonicotinate
TL;DR: 4-Chlorophenyl 2-chloroisonicotinate (CAS 680217-62-3) is a chemical compound with molecular formula C12H7Cl2NO2 and molecular weight 266.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chlorophenyl) 2-chloropyridine-4-carboxylate
Also Known As: 4-chlorophenyl 2-chloroisonicotinate, (4-chlorophenyl) 2-chloropyridine-4-carboxylate, 4-chlorophenyl 2-chloropyridine-4-carboxylate
| Molecular Formula | C12H7Cl2NO2 |
|---|---|
| Molecular Weight | 266.99 g/mol |
| LogP | 3.6076 |
| Topological Polar Surface Area | 39.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 266.98538 |
| Heavy Atoms | 17 |
| Complexity | 540.45685 |
Chemical Identifiers
| CAS Number | 680217-62-3 |
|---|---|
| SMILES | C1=CC(=CC=C1OC(=O)C2=CC(=NC=C2)Cl)Cl |
Product Overview
4-Chlorophenyl 2-chloroisonicotinate (CAS 680217-62-3), with molecular formula C12H7Cl2NO2 and molecular weight 266.99 g/mol. IUPAC: (4-chlorophenyl) 2-chloropyridine-4-carboxylate.
Chemical Property Profile of 4-Chlorophenyl 2-chloroisonicotinate
Property Insights of 4-Chlorophenyl 2-chloroisonicotinate
The XLogP value of 3.6076 indicates that 4-Chlorophenyl 2-chloroisonicotinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.19 Ų, 4-Chlorophenyl 2-chloroisonicotinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chlorophenyl 2-chloroisonicotinate has 0 hydrogen bond donor(s) and 3 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-Chlorophenyl 2-chloroisonicotinate?
The CAS number of 4-Chlorophenyl 2-chloroisonicotinate is 680217-62-3.
What is the molecular formula of 4-Chlorophenyl 2-chloroisonicotinate?
The molecular formula of 4-Chlorophenyl 2-chloroisonicotinate is C12H7Cl2NO2.
What is the molecular weight of 4-Chlorophenyl 2-chloroisonicotinate?
The molecular weight of 4-Chlorophenyl 2-chloroisonicotinate is 266.99 g/mol.
Where can I buy 4-Chlorophenyl 2-chloroisonicotinate?
You can request a quote for 4-Chlorophenyl 2-chloroisonicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chlorophenyl 2-chloroisonicotinate?
Yes, KEHONG BIO provides custom synthesis services for 4-Chlorophenyl 2-chloroisonicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.