2-Oxo-2-(3,4,5-trimethoxyphenyl)ethyl 5,6-dichloropyridine-3-carboxylate
TL;DR: 2-Oxo-2-(3,4,5-trimethoxyphenyl)ethyl 5,6-dichloropyridine-3-carboxylate (CAS 454223-69-9) is a chemical compound with molecular formula C17H15Cl2NO6 and molecular weight 399.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 5,6-dichloropyridine-3-carboxylate
Also Known As: 2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl 5,6-dichloropyridine-3-carboxylate, [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 5,6-dichloropyridine-3-carboxylate
| Molecular Formula | C17H15Cl2NO6 |
|---|---|
| Molecular Weight | 399.03 g/mol |
| LogP | 3.4539 |
| Topological Polar Surface Area | 83.95 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 399.02765 |
| Heavy Atoms | 26 |
| Complexity | 814.9931 |
Chemical Identifiers
| CAS Number | 454223-69-9 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)COC(=O)C2=CC(=C(N=C2)Cl)Cl |
Product Overview
2-Oxo-2-(3,4,5-trimethoxyphenyl)ethyl 5,6-dichloropyridine-3-carboxylate (CAS 454223-69-9), with molecular formula C17H15Cl2NO6 and molecular weight 399.03 g/mol. IUPAC: [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 5,6-dichloropyridine-3-carboxylate.
Chemical Property Profile of 2-Oxo-2-(3,4,5-trimethoxyphenyl)ethyl 5,6-dichloropyridine-3-carboxylate
Property Insights of 2-Oxo-2-(3,4,5-trimethoxyphenyl)ethyl 5,6-dichloropyridine-3-carboxylate
The XLogP value of 3.4539 indicates that 2-Oxo-2-(3,4,5-trimethoxyphenyl)ethyl 5,6-dichloropyridine-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.95 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Oxo-2-(3,4,5-trimethoxyphenyl)ethyl 5,6-dichloropyridine-3-carboxylate. Following Lipinski's Rule of Five, 2-Oxo-2-(3,4,5-trimethoxyphenyl)ethyl 5,6-dichloropyridine-3-carboxylate has 0 hydrogen bond donor(s) and 7 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-Oxo-2-(3,4,5-trimethoxyphenyl)ethyl 5,6-dichloropyridine-3-carboxylate?
The CAS number of 2-Oxo-2-(3,4,5-trimethoxyphenyl)ethyl 5,6-dichloropyridine-3-carboxylate is 454223-69-9.
What is the molecular formula of 2-Oxo-2-(3,4,5-trimethoxyphenyl)ethyl 5,6-dichloropyridine-3-carboxylate?
The molecular formula of 2-Oxo-2-(3,4,5-trimethoxyphenyl)ethyl 5,6-dichloropyridine-3-carboxylate is C17H15Cl2NO6.
What is the molecular weight of 2-Oxo-2-(3,4,5-trimethoxyphenyl)ethyl 5,6-dichloropyridine-3-carboxylate?
The molecular weight of 2-Oxo-2-(3,4,5-trimethoxyphenyl)ethyl 5,6-dichloropyridine-3-carboxylate is 399.03 g/mol.
Where can I buy 2-Oxo-2-(3,4,5-trimethoxyphenyl)ethyl 5,6-dichloropyridine-3-carboxylate?
You can request a quote for 2-Oxo-2-(3,4,5-trimethoxyphenyl)ethyl 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-Oxo-2-(3,4,5-trimethoxyphenyl)ethyl 5,6-dichloropyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-Oxo-2-(3,4,5-trimethoxyphenyl)ethyl 5,6-dichloropyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.