(4-Cyanophenyl)methyl 5,6-dichloropyridine-3-carboxylate
TL;DR: (4-Cyanophenyl)methyl 5,6-dichloropyridine-3-carboxylate (CAS 454244-89-4) is a chemical compound with molecular formula C14H8Cl2N2O2 and molecular weight 306.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-cyanophenyl)methyl 5,6-dichloropyridine-3-carboxylate
Also Known As: (4-cyanophenyl)methyl 5,6-dichloropyridine-3-carboxylate, 5,6-dichloronicotinic acid (4-cyanobenzyl) ester, (4-cyanophenyl)methyl 5,6-bis(chloranyl)pyridine-3-carboxylate, 5,6-dichloro-3-pyridinecarboxylic acid (4-cyanophenyl)methyl ester
| Molecular Formula | C14H8Cl2N2O2 |
|---|---|
| Molecular Weight | 306.00 g/mol |
| LogP | 3.61708 |
| Topological Polar Surface Area | 62.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 305.99628 |
| Heavy Atoms | 20 |
| Complexity | 678.56354 |
Chemical Identifiers
| CAS Number | 454244-89-4 |
|---|---|
| SMILES | C1=CC(=CC=C1COC(=O)C2=CC(=C(N=C2)Cl)Cl)C#N |
Product Overview
(4-Cyanophenyl)methyl 5,6-dichloropyridine-3-carboxylate (CAS 454244-89-4), with molecular formula C14H8Cl2N2O2 and molecular weight 306.00 g/mol. IUPAC: (4-cyanophenyl)methyl 5,6-dichloropyridine-3-carboxylate.
Chemical Property Profile of (4-Cyanophenyl)methyl 5,6-dichloropyridine-3-carboxylate
Property Insights of (4-Cyanophenyl)methyl 5,6-dichloropyridine-3-carboxylate
The XLogP value of 3.61708 indicates that (4-Cyanophenyl)methyl 5,6-dichloropyridine-3-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 (4-Cyanophenyl)methyl 5,6-dichloropyridine-3-carboxylate. Following Lipinski's Rule of Five, (4-Cyanophenyl)methyl 5,6-dichloropyridine-3-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 (4-Cyanophenyl)methyl 5,6-dichloropyridine-3-carboxylate?
The CAS number of (4-Cyanophenyl)methyl 5,6-dichloropyridine-3-carboxylate is 454244-89-4.
What is the molecular formula of (4-Cyanophenyl)methyl 5,6-dichloropyridine-3-carboxylate?
The molecular formula of (4-Cyanophenyl)methyl 5,6-dichloropyridine-3-carboxylate is C14H8Cl2N2O2.
What is the molecular weight of (4-Cyanophenyl)methyl 5,6-dichloropyridine-3-carboxylate?
The molecular weight of (4-Cyanophenyl)methyl 5,6-dichloropyridine-3-carboxylate is 306.00 g/mol.
Where can I buy (4-Cyanophenyl)methyl 5,6-dichloropyridine-3-carboxylate?
You can request a quote for (4-Cyanophenyl)methyl 5,6-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 (4-Cyanophenyl)methyl 5,6-dichloropyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (4-Cyanophenyl)methyl 5,6-dichloropyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.