Ethyl 4,6-dichloropyridine-3-carboxylate
TL;DR: Ethyl 4,6-dichloropyridine-3-carboxylate (CAS 40296-46-6) is a chemical compound with molecular formula C8H7Cl2NO2 and molecular weight 218.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4,6-dichloropyridine-3-carboxylate
Also Known As: Ethyl 4,6-dichloronicotinate, ethyl 4,6-dichloropyridine-3-carboxylate, 4,6-Dichloronicotinic acid ethyl ester, Ethyl4,6-DiChloronicotinate, Ethyl 4,6-dichloro nicotinate
| Molecular Formula | C8H7Cl2NO2 |
|---|---|
| Molecular Weight | 218.99 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 39.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 218.98538 |
| Heavy Atoms | 13 |
| Complexity | 189.0 |
Chemical Identifiers
| CAS Number | 40296-46-6 |
|---|---|
| SMILES | CCOC(=O)C1=CN=C(C=C1Cl)Cl |
| InChIKey | AAUBVINEXCCXOK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 4,6-dichloropyridine-3-carboxylate (CAS 40296-46-6), with molecular formula C8H7Cl2NO2 and molecular weight 218.99 g/mol. IUPAC: ethyl 4,6-dichloropyridine-3-carboxylate.
Chemical Property Profile of Ethyl 4,6-dichloropyridine-3-carboxylate
Property Insights of Ethyl 4,6-dichloropyridine-3-carboxylate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4,6-dichloropyridine-3-carboxylate. With a topological polar surface area (TPSA) of 39.2 Ų, Ethyl 4,6-dichloropyridine-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4,6-dichloropyridine-3-carboxylate 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 Ethyl 4,6-dichloropyridine-3-carboxylate?
The CAS number of Ethyl 4,6-dichloropyridine-3-carboxylate is 40296-46-6.
What is the molecular formula of Ethyl 4,6-dichloropyridine-3-carboxylate?
The molecular formula of Ethyl 4,6-dichloropyridine-3-carboxylate is C8H7Cl2NO2.
What is the molecular weight of Ethyl 4,6-dichloropyridine-3-carboxylate?
The molecular weight of Ethyl 4,6-dichloropyridine-3-carboxylate is 218.99 g/mol.
Where can I buy Ethyl 4,6-dichloropyridine-3-carboxylate?
You can request a quote for Ethyl 4,6-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 Ethyl 4,6-dichloropyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4,6-dichloropyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.