1-(2-Chloroethyl)-3-(ethoxycarbonyl)pyridin-1-ium chloride
TL;DR: 1-(2-Chloroethyl)-3-(ethoxycarbonyl)pyridin-1-ium chloride (CAS 73840-41-2) is a chemical compound with molecular formula C10H13Cl2NO2 and molecular weight 249.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-(2-chloroethyl)pyridin-1-ium-3-carboxylate chloride
Also Known As: Pyridinium, chloride, Pyridinium, chloride, ethyl ester, 1-(2-Chloroethyl)-3-ethoxycarbonylpyridinium chloride, Pyridinium, 1-(2-chloroethyl)-3-ethoxycarbonyl-, chloride, Pyridinium, 1-(2-chloroethyl)-3-(ethoxycarbonyl)-, chloride
| Molecular Formula | C10H13Cl2NO2 |
|---|---|
| Molecular Weight | 249.03 g/mol |
| LogP | -1.6064 |
| Topological Polar Surface Area | 30.18 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 249.03233 |
| Heavy Atoms | 15 |
| Complexity | 318.04562 |
Chemical Identifiers
| CAS Number | 73840-41-2 |
|---|---|
| SMILES | CCOC(=O)C1=C[N+](=CC=C1)CCCl.[Cl-] |
Product Overview
1-(2-Chloroethyl)-3-(ethoxycarbonyl)pyridin-1-ium chloride (CAS 73840-41-2), with molecular formula C10H13Cl2NO2 and molecular weight 249.03 g/mol. IUPAC: ethyl 1-(2-chloroethyl)pyridin-1-ium-3-carboxylate chloride.
Chemical Property Profile of 1-(2-Chloroethyl)-3-(ethoxycarbonyl)pyridin-1-ium chloride
Property Insights of 1-(2-Chloroethyl)-3-(ethoxycarbonyl)pyridin-1-ium chloride
The XLogP value of -1.6064 indicates that 1-(2-Chloroethyl)-3-(ethoxycarbonyl)pyridin-1-ium chloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 30.18 Ų, 1-(2-Chloroethyl)-3-(ethoxycarbonyl)pyridin-1-ium chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Chloroethyl)-3-(ethoxycarbonyl)pyridin-1-ium chloride has 0 hydrogen bond donor(s) and 2 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 1-(2-Chloroethyl)-3-(ethoxycarbonyl)pyridin-1-ium chloride?
The CAS number of 1-(2-Chloroethyl)-3-(ethoxycarbonyl)pyridin-1-ium chloride is 73840-41-2.
What is the molecular formula of 1-(2-Chloroethyl)-3-(ethoxycarbonyl)pyridin-1-ium chloride?
The molecular formula of 1-(2-Chloroethyl)-3-(ethoxycarbonyl)pyridin-1-ium chloride is C10H13Cl2NO2.
What is the molecular weight of 1-(2-Chloroethyl)-3-(ethoxycarbonyl)pyridin-1-ium chloride?
The molecular weight of 1-(2-Chloroethyl)-3-(ethoxycarbonyl)pyridin-1-ium chloride is 249.03 g/mol.
Where can I buy 1-(2-Chloroethyl)-3-(ethoxycarbonyl)pyridin-1-ium chloride?
You can request a quote for 1-(2-Chloroethyl)-3-(ethoxycarbonyl)pyridin-1-ium chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Chloroethyl)-3-(ethoxycarbonyl)pyridin-1-ium chloride?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Chloroethyl)-3-(ethoxycarbonyl)pyridin-1-ium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.