2-(3,4-Dichlorophenyl)-2-oxoethyl isonicotinate
TL;DR: 2-(3,4-Dichlorophenyl)-2-oxoethyl isonicotinate (CAS 524042-10-2) is a chemical compound with molecular formula C14H9Cl2NO3 and molecular weight 309.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(3,4-dichlorophenyl)-2-oxoethyl] pyridine-4-carboxylate
Also Known As: 2-(3,4-dichlorophenyl)-2-oxoethyl isonicotinate, BAS 06806551, [2-(3,4-dichlorophenyl)-2-oxoethyl] pyridine-4-carboxylate, 2-(3,4-dichlorophenyl)-2-oxoethyl pyridine-4-carboxylate, isonicotinic acid [2-(3,4-dichlorophenyl)-2-keto-ethyl] ester
| Molecular Formula | C14H9Cl2NO3 |
|---|---|
| Molecular Weight | 309.00 g/mol |
| LogP | 3.4281 |
| Topological Polar Surface Area | 56.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 308.99594 |
| Heavy Atoms | 20 |
| Complexity | 644.1222 |
Chemical Identifiers
| CAS Number | 524042-10-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=O)COC(=O)C2=CC=NC=C2)Cl)Cl |
Product Overview
2-(3,4-Dichlorophenyl)-2-oxoethyl isonicotinate (CAS 524042-10-2), with molecular formula C14H9Cl2NO3 and molecular weight 309.00 g/mol. IUPAC: [2-(3,4-dichlorophenyl)-2-oxoethyl] pyridine-4-carboxylate.
Chemical Property Profile of 2-(3,4-Dichlorophenyl)-2-oxoethyl isonicotinate
Property Insights of 2-(3,4-Dichlorophenyl)-2-oxoethyl isonicotinate
The XLogP value of 3.4281 indicates that 2-(3,4-Dichlorophenyl)-2-oxoethyl isonicotinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.26 Ų, 2-(3,4-Dichlorophenyl)-2-oxoethyl isonicotinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3,4-Dichlorophenyl)-2-oxoethyl isonicotinate 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 2-(3,4-Dichlorophenyl)-2-oxoethyl isonicotinate?
The CAS number of 2-(3,4-Dichlorophenyl)-2-oxoethyl isonicotinate is 524042-10-2.
What is the molecular formula of 2-(3,4-Dichlorophenyl)-2-oxoethyl isonicotinate?
The molecular formula of 2-(3,4-Dichlorophenyl)-2-oxoethyl isonicotinate is C14H9Cl2NO3.
What is the molecular weight of 2-(3,4-Dichlorophenyl)-2-oxoethyl isonicotinate?
The molecular weight of 2-(3,4-Dichlorophenyl)-2-oxoethyl isonicotinate is 309.00 g/mol.
Where can I buy 2-(3,4-Dichlorophenyl)-2-oxoethyl isonicotinate?
You can request a quote for 2-(3,4-Dichlorophenyl)-2-oxoethyl isonicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3,4-Dichlorophenyl)-2-oxoethyl isonicotinate?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,4-Dichlorophenyl)-2-oxoethyl isonicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.