Cyanomethyl 3,4,5,6-tetrachloropyridine-2-carboxylate
TL;DR: Cyanomethyl 3,4,5,6-tetrachloropyridine-2-carboxylate (CAS 878078-34-3) is a chemical compound with molecular formula C8H2Cl4N2O2 and molecular weight 297.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyanomethyl 3,4,5,6-tetrachloropyridine-2-carboxylate
Also Known As: cyanomethyl 3,4,5,6-tetrachloropyridine-2-carboxylate
| Molecular Formula | C8H2Cl4N2O2 |
|---|---|
| Molecular Weight | 297.89 g/mol |
| LogP | 3.37558 |
| Topological Polar Surface Area | 62.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 297.88702 |
| Heavy Atoms | 16 |
| Complexity | 483.90714 |
Chemical Identifiers
| CAS Number | 878078-34-3 |
|---|---|
| SMILES | C(C#N)OC(=O)C1=NC(=C(C(=C1Cl)Cl)Cl)Cl |
Product Overview
Cyanomethyl 3,4,5,6-tetrachloropyridine-2-carboxylate (CAS 878078-34-3), with molecular formula C8H2Cl4N2O2 and molecular weight 297.89 g/mol. IUPAC: cyanomethyl 3,4,5,6-tetrachloropyridine-2-carboxylate.
Chemical Property Profile of Cyanomethyl 3,4,5,6-tetrachloropyridine-2-carboxylate
Property Insights of Cyanomethyl 3,4,5,6-tetrachloropyridine-2-carboxylate
The XLogP value of 3.37558 indicates that Cyanomethyl 3,4,5,6-tetrachloropyridine-2-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 Cyanomethyl 3,4,5,6-tetrachloropyridine-2-carboxylate. Following Lipinski's Rule of Five, Cyanomethyl 3,4,5,6-tetrachloropyridine-2-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 Cyanomethyl 3,4,5,6-tetrachloropyridine-2-carboxylate?
The CAS number of Cyanomethyl 3,4,5,6-tetrachloropyridine-2-carboxylate is 878078-34-3.
What is the molecular formula of Cyanomethyl 3,4,5,6-tetrachloropyridine-2-carboxylate?
The molecular formula of Cyanomethyl 3,4,5,6-tetrachloropyridine-2-carboxylate is C8H2Cl4N2O2.
What is the molecular weight of Cyanomethyl 3,4,5,6-tetrachloropyridine-2-carboxylate?
The molecular weight of Cyanomethyl 3,4,5,6-tetrachloropyridine-2-carboxylate is 297.89 g/mol.
Where can I buy Cyanomethyl 3,4,5,6-tetrachloropyridine-2-carboxylate?
You can request a quote for Cyanomethyl 3,4,5,6-tetrachloropyridine-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyanomethyl 3,4,5,6-tetrachloropyridine-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Cyanomethyl 3,4,5,6-tetrachloropyridine-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.