![2-[4-(Benzyloxy)phenyl]-2-oxoethyl pyridine-4-carboxylate structure](/static/products/842/842963-08-0.png)
2-[4-(Benzyloxy)phenyl]-2-oxoethyl pyridine-4-carboxylate
TL;DR: 2-[4-(Benzyloxy)phenyl]-2-oxoethyl pyridine-4-carboxylate (CAS 842963-08-0) is a chemical compound with molecular formula C21H17NO4 and molecular weight 347.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-oxo-2-(4-phenylmethoxyphenyl)ethyl] pyridine-4-carboxylate
Also Known As: 2-(4-(benzyloxy)phenyl)-2-oxoethyl isonicotinate, 2-[4-(benzyloxy)phenyl]-2-oxoethyl pyridine-4-carboxylate, [2-oxo-2-(4-phenylmethoxyphenyl)ethyl] pyridine-4-carboxylate
| Molecular Formula | C21H17NO4 |
|---|---|
| Molecular Weight | 347.12 g/mol |
| LogP | 3.7003 |
| Topological Polar Surface Area | 65.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 347.11575 |
| Heavy Atoms | 26 |
| Complexity | 861.53253 |
Chemical Identifiers
| CAS Number | 842963-08-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)COC(=O)C3=CC=NC=C3 |
Product Overview
2-[4-(Benzyloxy)phenyl]-2-oxoethyl pyridine-4-carboxylate (CAS 842963-08-0), with molecular formula C21H17NO4 and molecular weight 347.12 g/mol. IUPAC: [2-oxo-2-(4-phenylmethoxyphenyl)ethyl] pyridine-4-carboxylate.
Chemical Property Profile of 2-[4-(Benzyloxy)phenyl]-2-oxoethyl pyridine-4-carboxylate
Property Insights of 2-[4-(Benzyloxy)phenyl]-2-oxoethyl pyridine-4-carboxylate
The XLogP value of 3.7003 indicates that 2-[4-(Benzyloxy)phenyl]-2-oxoethyl pyridine-4-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.49 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[4-(Benzyloxy)phenyl]-2-oxoethyl pyridine-4-carboxylate. Following Lipinski's Rule of Five, 2-[4-(Benzyloxy)phenyl]-2-oxoethyl pyridine-4-carboxylate has 0 hydrogen bond donor(s) and 5 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 2-[4-(Benzyloxy)phenyl]-2-oxoethyl pyridine-4-carboxylate?
The CAS number of 2-[4-(Benzyloxy)phenyl]-2-oxoethyl pyridine-4-carboxylate is 842963-08-0.
What is the molecular formula of 2-[4-(Benzyloxy)phenyl]-2-oxoethyl pyridine-4-carboxylate?
The molecular formula of 2-[4-(Benzyloxy)phenyl]-2-oxoethyl pyridine-4-carboxylate is C21H17NO4.
What is the molecular weight of 2-[4-(Benzyloxy)phenyl]-2-oxoethyl pyridine-4-carboxylate?
The molecular weight of 2-[4-(Benzyloxy)phenyl]-2-oxoethyl pyridine-4-carboxylate is 347.12 g/mol.
Where can I buy 2-[4-(Benzyloxy)phenyl]-2-oxoethyl pyridine-4-carboxylate?
You can request a quote for 2-[4-(Benzyloxy)phenyl]-2-oxoethyl pyridine-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[4-(Benzyloxy)phenyl]-2-oxoethyl pyridine-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-(Benzyloxy)phenyl]-2-oxoethyl pyridine-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.