2,6-二氯异烟酸乙酯
TL;DR: 2,6-二氯异烟酸乙酯 (CAS 1604-14-4) is a chemical compound with molecular formula C8H7Cl2NO2 and molecular weight 218.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-二氯异烟酸乙酯
ethyl 2,6-dichloropyridine-4-carboxylate
Also Known As: Ethyl 2,6-dichloroisonicotinate, 2,6-Dichloro-isonicotinic acid ethyl ester, ethyl 2,6-dichloropyridine-4-carboxylate, ethyl-2,6-dichlorisonicotinat, 2,6-Dichloroisonicotinic acid ethyl ester
| Molecular Formula | C8H7Cl2NO2 |
|---|---|
| Molecular Weight | 218.99 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 39.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 218.98538 |
| Heavy Atoms | 13 |
| Complexity | 179.0 |
Chemical Identifiers
| CAS Number | 1604-14-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=NC(=C1)Cl)Cl |
| InChIKey | PVPBMYSZXFNZOM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,6-二氯异烟酸乙酯 (CAS 1604-14-4), with molecular formula C8H7Cl2NO2 and molecular weight 218.99 g/mol. IUPAC: ethyl 2,6-dichloropyridine-4-carboxylate.
Chemical Property Profile of 2,6-二氯异烟酸乙酯
Property Insights of 2,6-二氯异烟酸乙酯
The XLogP value of 3.0 indicates that 2,6-二氯异烟酸乙酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.2 Ų, 2,6-二氯异烟酸乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-二氯异烟酸乙酯 has 0 hydrogen bond donor(s) and 3 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 2,6-二氯异烟酸乙酯?
The CAS number of 2,6-二氯异烟酸乙酯 is 1604-14-4.
What is the molecular formula of 2,6-二氯异烟酸乙酯?
The molecular formula of 2,6-二氯异烟酸乙酯 is C8H7Cl2NO2.
What is the molecular weight of 2,6-二氯异烟酸乙酯?
The molecular weight of 2,6-二氯异烟酸乙酯 is 218.99 g/mol.
Where can I buy 2,6-二氯异烟酸乙酯?
You can request a quote for 2,6-二氯异烟酸乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-二氯异烟酸乙酯?
Yes, KEHONG BIO provides custom synthesis services for 2,6-二氯异烟酸乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.