Ethyl 2-tert-butyl-3,6-dichloro-5-cyanopyridine-4-carboxylate
TL;DR: Ethyl 2-tert-butyl-3,6-dichloro-5-cyanopyridine-4-carboxylate (CAS 286436-19-9) is a chemical compound with molecular formula C13H14Cl2N2O2 and molecular weight 300.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-tert-butyl-3,6-dichloro-5-cyanopyridine-4-carboxylate
Also Known As: ethyl 2-(tert-butyl)-3,6-dichloro-5-cyanoisonicotinate, ethyl 2-tert-butyl-3,6-dichloro-5-cyanopyridine-4-carboxylate, 4-Pyridinecarboxylic acid, 2,5-dichloro-3-cyano-6-(1,1-dimethylethyl)-, ethyl ester, Ethyl 2,5-dichloro-3-cyano-6-(1,1-dimethylethyl)-4-pyridinecarboxylate
| Molecular Formula | C13H14Cl2N2O2 |
|---|---|
| Molecular Weight | 300.04 g/mol |
| LogP | 3.73428 |
| Topological Polar Surface Area | 62.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 300.04324 |
| Heavy Atoms | 19 |
| Complexity | 557.23236 |
Chemical Identifiers
| CAS Number | 286436-19-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=NC(=C1Cl)C(C)(C)C)Cl)C#N |
Product Overview
Ethyl 2-tert-butyl-3,6-dichloro-5-cyanopyridine-4-carboxylate (CAS 286436-19-9), with molecular formula C13H14Cl2N2O2 and molecular weight 300.04 g/mol. IUPAC: ethyl 2-tert-butyl-3,6-dichloro-5-cyanopyridine-4-carboxylate.
Chemical Property Profile of Ethyl 2-tert-butyl-3,6-dichloro-5-cyanopyridine-4-carboxylate
Property Insights of Ethyl 2-tert-butyl-3,6-dichloro-5-cyanopyridine-4-carboxylate
The XLogP value of 3.73428 indicates that Ethyl 2-tert-butyl-3,6-dichloro-5-cyanopyridine-4-carboxylate 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 Ethyl 2-tert-butyl-3,6-dichloro-5-cyanopyridine-4-carboxylate. Following Lipinski's Rule of Five, Ethyl 2-tert-butyl-3,6-dichloro-5-cyanopyridine-4-carboxylate 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 Ethyl 2-tert-butyl-3,6-dichloro-5-cyanopyridine-4-carboxylate?
The CAS number of Ethyl 2-tert-butyl-3,6-dichloro-5-cyanopyridine-4-carboxylate is 286436-19-9.
What is the molecular formula of Ethyl 2-tert-butyl-3,6-dichloro-5-cyanopyridine-4-carboxylate?
The molecular formula of Ethyl 2-tert-butyl-3,6-dichloro-5-cyanopyridine-4-carboxylate is C13H14Cl2N2O2.
What is the molecular weight of Ethyl 2-tert-butyl-3,6-dichloro-5-cyanopyridine-4-carboxylate?
The molecular weight of Ethyl 2-tert-butyl-3,6-dichloro-5-cyanopyridine-4-carboxylate is 300.04 g/mol.
Where can I buy Ethyl 2-tert-butyl-3,6-dichloro-5-cyanopyridine-4-carboxylate?
You can request a quote for Ethyl 2-tert-butyl-3,6-dichloro-5-cyanopyridine-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-tert-butyl-3,6-dichloro-5-cyanopyridine-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-tert-butyl-3,6-dichloro-5-cyanopyridine-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.