3-Pyridinecarboxylic acid, (4-(4-(4-chlorophenyl)butoxy)phenyl)methyl ester
TL;DR: 3-Pyridinecarboxylic acid, (4-(4-(4-chlorophenyl)butoxy)phenyl)methyl ester (CAS 83123-56-2) is a chemical compound with molecular formula C23H22ClNO3 and molecular weight 395.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[4-(4-chlorophenyl)butoxy]phenyl]methyl pyridine-3-carboxylate
Also Known As: 4-(4-(4-Chlorophenyl)butoxy)benzyl nicotinate, 4-[4-(4-chlorophenyl)butoxy]benzyl nicotinate, 3-Pyridinecarboxylic acid, (4-(4-(4-chlorophenyl)butoxy)phenyl)methyl ester, [4-[4-(4-chlorophenyl)butoxy]phenyl]methyl pyridine-3-carboxylate, {4-[4-(4-Chlorophenyl)butoxy]phenyl}methyl pyridine-3-carboxylate
| Molecular Formula | C23H22ClNO3 |
|---|---|
| Molecular Weight | 395.13 g/mol |
| LogP | 5.4937 |
| Topological Polar Surface Area | 48.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 395.1288 |
| Heavy Atoms | 28 |
| Complexity | 864.614 |
Chemical Identifiers
| CAS Number | 83123-56-2 |
|---|---|
| SMILES | C1=CC(=CN=C1)C(=O)OCC2=CC=C(C=C2)OCCCCC3=CC=C(C=C3)Cl |
Product Overview
3-Pyridinecarboxylic acid, (4-(4-(4-chlorophenyl)butoxy)phenyl)methyl ester (CAS 83123-56-2), with molecular formula C23H22ClNO3 and molecular weight 395.13 g/mol. IUPAC: [4-[4-(4-chlorophenyl)butoxy]phenyl]methyl pyridine-3-carboxylate.
Chemical Property Profile of 3-Pyridinecarboxylic acid, (4-(4-(4-chlorophenyl)butoxy)phenyl)methyl ester
Property Insights of 3-Pyridinecarboxylic acid, (4-(4-(4-chlorophenyl)butoxy)phenyl)methyl ester
The XLogP value of 5.4937 indicates that 3-Pyridinecarboxylic acid, (4-(4-(4-chlorophenyl)butoxy)phenyl)methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.42 Ų, 3-Pyridinecarboxylic acid, (4-(4-(4-chlorophenyl)butoxy)phenyl)methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Pyridinecarboxylic acid, (4-(4-(4-chlorophenyl)butoxy)phenyl)methyl ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Pyridinecarboxylic acid, (4-(4-(4-chlorophenyl)butoxy)phenyl)methyl ester?
The CAS number of 3-Pyridinecarboxylic acid, (4-(4-(4-chlorophenyl)butoxy)phenyl)methyl ester is 83123-56-2.
What is the molecular formula of 3-Pyridinecarboxylic acid, (4-(4-(4-chlorophenyl)butoxy)phenyl)methyl ester?
The molecular formula of 3-Pyridinecarboxylic acid, (4-(4-(4-chlorophenyl)butoxy)phenyl)methyl ester is C23H22ClNO3.
What is the molecular weight of 3-Pyridinecarboxylic acid, (4-(4-(4-chlorophenyl)butoxy)phenyl)methyl ester?
The molecular weight of 3-Pyridinecarboxylic acid, (4-(4-(4-chlorophenyl)butoxy)phenyl)methyl ester is 395.13 g/mol.
Where can I buy 3-Pyridinecarboxylic acid, (4-(4-(4-chlorophenyl)butoxy)phenyl)methyl ester?
You can request a quote for 3-Pyridinecarboxylic acid, (4-(4-(4-chlorophenyl)butoxy)phenyl)methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Pyridinecarboxylic acid, (4-(4-(4-chlorophenyl)butoxy)phenyl)methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Pyridinecarboxylic acid, (4-(4-(4-chlorophenyl)butoxy)phenyl)methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.