4-Chlorophenyl 2-pyridinecarboxylate
TL;DR: 4-Chlorophenyl 2-pyridinecarboxylate (CAS 64301-94-6) is a chemical compound with molecular formula C12H8ClNO2 and molecular weight 233.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chlorophenyl) pyridine-2-carboxylate
Also Known As: 4-chlorophenyl picolinate, 4-chlorophenyl 2-pyridinecarboxylate, (4-chlorophenyl) pyridine-2-carboxylate, 2-picolinic acid 4-chlorophenyl ester
| Molecular Formula | C12H8ClNO2 |
|---|---|
| Molecular Weight | 233.02 g/mol |
| LogP | 2.9542 |
| Topological Polar Surface Area | 39.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 233.02435 |
| Heavy Atoms | 16 |
| Complexity | 482.13177 |
Chemical Identifiers
| CAS Number | 64301-94-6 |
|---|---|
| SMILES | C1=CC=NC(=C1)C(=O)OC2=CC=C(C=C2)Cl |
Product Overview
4-Chlorophenyl 2-pyridinecarboxylate (CAS 64301-94-6), with molecular formula C12H8ClNO2 and molecular weight 233.02 g/mol. IUPAC: (4-chlorophenyl) pyridine-2-carboxylate.
Chemical Property Profile of 4-Chlorophenyl 2-pyridinecarboxylate
Property Insights of 4-Chlorophenyl 2-pyridinecarboxylate
The XLogP value of 2.9542 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chlorophenyl 2-pyridinecarboxylate. With a topological polar surface area (TPSA) of 39.19 Ų, 4-Chlorophenyl 2-pyridinecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chlorophenyl 2-pyridinecarboxylate 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-pyridinecarboxylate?
The CAS number of 4-Chlorophenyl 2-pyridinecarboxylate is 64301-94-6.
What is the molecular formula of 4-Chlorophenyl 2-pyridinecarboxylate?
The molecular formula of 4-Chlorophenyl 2-pyridinecarboxylate is C12H8ClNO2.
What is the molecular weight of 4-Chlorophenyl 2-pyridinecarboxylate?
The molecular weight of 4-Chlorophenyl 2-pyridinecarboxylate is 233.02 g/mol.
Where can I buy 4-Chlorophenyl 2-pyridinecarboxylate?
You can request a quote for 4-Chlorophenyl 2-pyridinecarboxylate 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-pyridinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-Chlorophenyl 2-pyridinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.