2,6-Diethyl 4-chloropyridine-2,6-dicarboxylate
TL;DR: 2,6-Diethyl 4-chloropyridine-2,6-dicarboxylate (CAS 53389-01-8) is a chemical compound with molecular formula C11H12ClNO4 and molecular weight 257.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 4-chloropyridine-2,6-dicarboxylate
Also Known As: diethyl 4-chloropyridine-2,6-dicarboxylate, Diethyl 4-chloro-2,6-pyridinedicarboxylate, 4-chloropyidine-2,6-dicarboxylate, 2,6-diethyl 4-chloropyridine-2,6-dicarboxylate, 4-Bromo-2-methylphenylisothiocyanate
| Molecular Formula | C11H12ClNO4 |
|---|---|
| Molecular Weight | 257.05 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 65.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 257.04547 |
| Heavy Atoms | 17 |
| Complexity | 259.0 |
Chemical Identifiers
| CAS Number | 53389-01-8 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=CC(=N1)C(=O)OCC)Cl |
| InChIKey | XQVRVZXJZVVBLW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,6-Diethyl 4-chloropyridine-2,6-dicarboxylate (CAS 53389-01-8), with molecular formula C11H12ClNO4 and molecular weight 257.05 g/mol. IUPAC: diethyl 4-chloropyridine-2,6-dicarboxylate.
Chemical Property Profile of 2,6-Diethyl 4-chloropyridine-2,6-dicarboxylate
Property Insights of 2,6-Diethyl 4-chloropyridine-2,6-dicarboxylate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6-Diethyl 4-chloropyridine-2,6-dicarboxylate. The TPSA of 65.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,6-Diethyl 4-chloropyridine-2,6-dicarboxylate. Following Lipinski's Rule of Five, 2,6-Diethyl 4-chloropyridine-2,6-dicarboxylate has 0 hydrogen bond donor(s) and 5 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 2,6-Diethyl 4-chloropyridine-2,6-dicarboxylate?
The CAS number of 2,6-Diethyl 4-chloropyridine-2,6-dicarboxylate is 53389-01-8.
What is the molecular formula of 2,6-Diethyl 4-chloropyridine-2,6-dicarboxylate?
The molecular formula of 2,6-Diethyl 4-chloropyridine-2,6-dicarboxylate is C11H12ClNO4.
What is the molecular weight of 2,6-Diethyl 4-chloropyridine-2,6-dicarboxylate?
The molecular weight of 2,6-Diethyl 4-chloropyridine-2,6-dicarboxylate is 257.05 g/mol.
Where can I buy 2,6-Diethyl 4-chloropyridine-2,6-dicarboxylate?
You can request a quote for 2,6-Diethyl 4-chloropyridine-2,6-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Diethyl 4-chloropyridine-2,6-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Diethyl 4-chloropyridine-2,6-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.