2-(beta,beta-Diethoxycarbonylphenethyl)pyridinium chloride
TL;DR: 2-(beta,beta-Diethoxycarbonylphenethyl)pyridinium chloride (CAS 1454-12-2) is a chemical compound with molecular formula C19H22ClNO4 and molecular weight 363.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-phenyl-2-(pyridin-2-ylmethyl)propanedioate;hydrochloride
Also Known As: 2-(beta,beta-Diethoxycarbonylphenethyl)pyridinium chloride, diethyl 2-phenyl-2-(2-pyridylmethyl)malonate hydrochloride, diethyl 2-phenyl-2-(pyridin-2-ylmethyl)propanedioate;hydrochloride, diethyl 2-phenyl-2-(pyridin-2-ylmethyl)propanedioate hydrochloride, Diethyl phenyl[(pyridin-2-yl)methyl]propanedioate--hydrogen chloride (1/1)
| Molecular Formula | C19H22ClNO4 |
|---|---|
| Molecular Weight | 363.12 g/mol |
| LogP | 3.11 |
| Topological Polar Surface Area | 65.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 363.12375 |
| Heavy Atoms | 25 |
| Complexity | 400.0 |
Chemical Identifiers
| CAS Number | 1454-12-2 |
|---|---|
| SMILES | CCOC(=O)C(CC1=CC=CC=N1)(C2=CC=CC=C2)C(=O)OCC.Cl |
| InChIKey | WFPAMNMQXMJMLB-UHFFFAOYSA-N |
Product Overview
2-(beta,beta-Diethoxycarbonylphenethyl)pyridinium chloride (CAS 1454-12-2), with molecular formula C19H22ClNO4 and molecular weight 363.12 g/mol. IUPAC: diethyl 2-phenyl-2-(pyridin-2-ylmethyl)propanedioate;hydrochloride.
Chemical Property Profile of 2-(beta,beta-Diethoxycarbonylphenethyl)pyridinium chloride
Property Insights of 2-(beta,beta-Diethoxycarbonylphenethyl)pyridinium chloride
The XLogP value of 3.11 indicates that 2-(beta,beta-Diethoxycarbonylphenethyl)pyridinium chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(beta,beta-Diethoxycarbonylphenethyl)pyridinium chloride. Following Lipinski's Rule of Five, 2-(beta,beta-Diethoxycarbonylphenethyl)pyridinium chloride has 1 hydrogen bond donor(s) and 5 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-(beta,beta-Diethoxycarbonylphenethyl)pyridinium chloride?
The CAS number of 2-(beta,beta-Diethoxycarbonylphenethyl)pyridinium chloride is 1454-12-2.
What is the molecular formula of 2-(beta,beta-Diethoxycarbonylphenethyl)pyridinium chloride?
The molecular formula of 2-(beta,beta-Diethoxycarbonylphenethyl)pyridinium chloride is C19H22ClNO4.
What is the molecular weight of 2-(beta,beta-Diethoxycarbonylphenethyl)pyridinium chloride?
The molecular weight of 2-(beta,beta-Diethoxycarbonylphenethyl)pyridinium chloride is 363.12 g/mol.
Where can I buy 2-(beta,beta-Diethoxycarbonylphenethyl)pyridinium chloride?
You can request a quote for 2-(beta,beta-Diethoxycarbonylphenethyl)pyridinium chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(beta,beta-Diethoxycarbonylphenethyl)pyridinium chloride?
Yes, KEHONG BIO provides custom synthesis services for 2-(beta,beta-Diethoxycarbonylphenethyl)pyridinium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.