2-(4-Ethylphenyl)-2-oxoethyl 5,6-dichloropyridine-3-carboxylate
TL;DR: 2-(4-Ethylphenyl)-2-oxoethyl 5,6-dichloropyridine-3-carboxylate (CAS 730982-55-5) is a chemical compound with molecular formula C16H13Cl2NO3 and molecular weight 337.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-ethylphenyl)-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate
Also Known As: 2-(4-ethylphenyl)-2-oxoethyl 5,6-dichloropyridine-3-carboxylate, [2-(4-ethylphenyl)-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate
| Molecular Formula | C16H13Cl2NO3 |
|---|---|
| Molecular Weight | 337.03 g/mol |
| LogP | 3.9905 |
| Topological Polar Surface Area | 56.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 337.02725 |
| Heavy Atoms | 22 |
| Complexity | 699.0372 |
Chemical Identifiers
| CAS Number | 730982-55-5 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=C(N=C2)Cl)Cl |
Product Overview
2-(4-Ethylphenyl)-2-oxoethyl 5,6-dichloropyridine-3-carboxylate (CAS 730982-55-5), with molecular formula C16H13Cl2NO3 and molecular weight 337.03 g/mol. IUPAC: [2-(4-ethylphenyl)-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate.
Chemical Property Profile of 2-(4-Ethylphenyl)-2-oxoethyl 5,6-dichloropyridine-3-carboxylate
Property Insights of 2-(4-Ethylphenyl)-2-oxoethyl 5,6-dichloropyridine-3-carboxylate
The XLogP value of 3.9905 indicates that 2-(4-Ethylphenyl)-2-oxoethyl 5,6-dichloropyridine-3-carboxylate 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-(4-Ethylphenyl)-2-oxoethyl 5,6-dichloropyridine-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Ethylphenyl)-2-oxoethyl 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 2-(4-Ethylphenyl)-2-oxoethyl 5,6-dichloropyridine-3-carboxylate?
The CAS number of 2-(4-Ethylphenyl)-2-oxoethyl 5,6-dichloropyridine-3-carboxylate is 730982-55-5.
What is the molecular formula of 2-(4-Ethylphenyl)-2-oxoethyl 5,6-dichloropyridine-3-carboxylate?
The molecular formula of 2-(4-Ethylphenyl)-2-oxoethyl 5,6-dichloropyridine-3-carboxylate is C16H13Cl2NO3.
What is the molecular weight of 2-(4-Ethylphenyl)-2-oxoethyl 5,6-dichloropyridine-3-carboxylate?
The molecular weight of 2-(4-Ethylphenyl)-2-oxoethyl 5,6-dichloropyridine-3-carboxylate is 337.03 g/mol.
Where can I buy 2-(4-Ethylphenyl)-2-oxoethyl 5,6-dichloropyridine-3-carboxylate?
You can request a quote for 2-(4-Ethylphenyl)-2-oxoethyl 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 2-(4-Ethylphenyl)-2-oxoethyl 5,6-dichloropyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Ethylphenyl)-2-oxoethyl 5,6-dichloropyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.