Ethyl 6-(tert-butyl)-2-chloro-3-cyanoisonicotinate
TL;DR: Ethyl 6-(tert-butyl)-2-chloro-3-cyanoisonicotinate (CAS 175204-47-4) is a chemical compound with molecular formula C13H15ClN2O2 and molecular weight 266.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-tert-butyl-2-chloro-3-cyanopyridine-4-carboxylate
Also Known As: Ethyl 6-(tert-butyl)-2-chloro-3-cyanoisonicotinate, ethyl 6-tert-butyl-2-chloro-3-cyanopyridine-4-carboxylate, 9125AA, I02-5817, S14-1609
| Molecular Formula | C13H15ClN2O2 |
|---|---|
| Molecular Weight | 266.08 g/mol |
| LogP | 3.08088 |
| Topological Polar Surface Area | 62.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 266.0822 |
| Heavy Atoms | 18 |
| Complexity | 512.9481 |
Chemical Identifiers
| CAS Number | 175204-47-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=NC(=C1C#N)Cl)C(C)(C)C |
Product Overview
Ethyl 6-(tert-butyl)-2-chloro-3-cyanoisonicotinate (CAS 175204-47-4), with molecular formula C13H15ClN2O2 and molecular weight 266.08 g/mol. IUPAC: ethyl 6-tert-butyl-2-chloro-3-cyanopyridine-4-carboxylate.
Chemical Property Profile of Ethyl 6-(tert-butyl)-2-chloro-3-cyanoisonicotinate
Property Insights of Ethyl 6-(tert-butyl)-2-chloro-3-cyanoisonicotinate
The XLogP value of 3.08088 indicates that Ethyl 6-(tert-butyl)-2-chloro-3-cyanoisonicotinate 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 6-(tert-butyl)-2-chloro-3-cyanoisonicotinate. Following Lipinski's Rule of Five, Ethyl 6-(tert-butyl)-2-chloro-3-cyanoisonicotinate 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 6-(tert-butyl)-2-chloro-3-cyanoisonicotinate?
The CAS number of Ethyl 6-(tert-butyl)-2-chloro-3-cyanoisonicotinate is 175204-47-4.
What is the molecular formula of Ethyl 6-(tert-butyl)-2-chloro-3-cyanoisonicotinate?
The molecular formula of Ethyl 6-(tert-butyl)-2-chloro-3-cyanoisonicotinate is C13H15ClN2O2.
What is the molecular weight of Ethyl 6-(tert-butyl)-2-chloro-3-cyanoisonicotinate?
The molecular weight of Ethyl 6-(tert-butyl)-2-chloro-3-cyanoisonicotinate is 266.08 g/mol.
Where can I buy Ethyl 6-(tert-butyl)-2-chloro-3-cyanoisonicotinate?
You can request a quote for Ethyl 6-(tert-butyl)-2-chloro-3-cyanoisonicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 6-(tert-butyl)-2-chloro-3-cyanoisonicotinate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 6-(tert-butyl)-2-chloro-3-cyanoisonicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.