(3,4-Dichlorophenyl)methyl pyridine-3-carboxylate
TL;DR: (3,4-Dichlorophenyl)methyl pyridine-3-carboxylate (CAS 824945-68-8) is a chemical compound with molecular formula C13H9Cl2NO2 and molecular weight 281.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,4-dichlorophenyl)methyl pyridine-3-carboxylate
Also Known As: 3,4-dichlorobenzyl nicotinate, (3,4-dichlorophenyl)methyl pyridine-3-carboxylate, Nicotinic acid 3,4-dichloro-benzyl ester, 3,4-dichlorobenzyl pyridine-3-carboxylate, Nicotinic acid 3,4-dichloro-benzyl ester - 25MG 25mg
| Molecular Formula | C13H9Cl2NO2 |
|---|---|
| Molecular Weight | 281.00 g/mol |
| LogP | 3.7454 |
| Topological Polar Surface Area | 39.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 281.00104 |
| Heavy Atoms | 18 |
| Complexity | 558.1726 |
Chemical Identifiers
| CAS Number | 824945-68-8 |
|---|---|
| SMILES | C1=CC(=CN=C1)C(=O)OCC2=CC(=C(C=C2)Cl)Cl |
Product Overview
(3,4-Dichlorophenyl)methyl pyridine-3-carboxylate (CAS 824945-68-8), with molecular formula C13H9Cl2NO2 and molecular weight 281.00 g/mol. IUPAC: (3,4-dichlorophenyl)methyl pyridine-3-carboxylate.
Chemical Property Profile of (3,4-Dichlorophenyl)methyl pyridine-3-carboxylate
Property Insights of (3,4-Dichlorophenyl)methyl pyridine-3-carboxylate
The XLogP value of 3.7454 indicates that (3,4-Dichlorophenyl)methyl pyridine-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.19 Ų, (3,4-Dichlorophenyl)methyl pyridine-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3,4-Dichlorophenyl)methyl pyridine-3-carboxylate has 0 hydrogen bond donor(s) and 3 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 (3,4-Dichlorophenyl)methyl pyridine-3-carboxylate?
The CAS number of (3,4-Dichlorophenyl)methyl pyridine-3-carboxylate is 824945-68-8.
What is the molecular formula of (3,4-Dichlorophenyl)methyl pyridine-3-carboxylate?
The molecular formula of (3,4-Dichlorophenyl)methyl pyridine-3-carboxylate is C13H9Cl2NO2.
What is the molecular weight of (3,4-Dichlorophenyl)methyl pyridine-3-carboxylate?
The molecular weight of (3,4-Dichlorophenyl)methyl pyridine-3-carboxylate is 281.00 g/mol.
Where can I buy (3,4-Dichlorophenyl)methyl pyridine-3-carboxylate?
You can request a quote for (3,4-Dichlorophenyl)methyl pyridine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3,4-Dichlorophenyl)methyl pyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (3,4-Dichlorophenyl)methyl pyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.