2-(Diethylamino)-1-phenylethyl pyridine-4-carboxylate--hydrogen chloride (1/2)
TL;DR: 2-(Diethylamino)-1-phenylethyl pyridine-4-carboxylate--hydrogen chloride (1/2) (CAS 108367-25-5) is a chemical compound with molecular formula C18H24Cl2N2O2 and molecular weight 370.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl-[2-phenyl-2-(pyridin-1-ium-4-carbonyloxy)ethyl]azanium dichloride
Also Known As: ISONICOTINIC ACID, alpha-((DIETHYLAMINO)METHYL)BENZYL ESTER, DIHYDROCHLORIDE, 4-{[2-(diethylammonio)-1-phenylethoxy]carbonyl}pyridinium dichloride, diethyl-[2-phenyl-2-(pyridin-1-ium-4-carbonyloxy)ethyl]azanium dichloride, 2-(Diethylamino)-1-phenylethyl pyridine-4-carboxylate--hydrogen chloride (1/2), RefChem:1061567
| Molecular Formula | C18H24Cl2N2O2 |
|---|---|
| Molecular Weight | 370.12 g/mol |
| LogP | -4.67 |
| Topological Polar Surface Area | 44.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 370.1215 |
| Heavy Atoms | 24 |
| Complexity | 319.0 |
Chemical Identifiers
| CAS Number | 108367-25-5 |
|---|---|
| SMILES | CC[NH+](CC)CC(C1=CC=CC=C1)OC(=O)C2=CC=[NH+]C=C2.[Cl-].[Cl-] |
| InChIKey | XOEAGJVQWNQRGI-UHFFFAOYSA-N |
Product Overview
2-(Diethylamino)-1-phenylethyl pyridine-4-carboxylate--hydrogen chloride (1/2) (CAS 108367-25-5), with molecular formula C18H24Cl2N2O2 and molecular weight 370.12 g/mol. IUPAC: diethyl-[2-phenyl-2-(pyridin-1-ium-4-carbonyloxy)ethyl]azanium dichloride.
Chemical Property Profile of 2-(Diethylamino)-1-phenylethyl pyridine-4-carboxylate--hydrogen chloride (1/2)
Property Insights of 2-(Diethylamino)-1-phenylethyl pyridine-4-carboxylate--hydrogen chloride (1/2)
The XLogP value of -4.67 indicates that 2-(Diethylamino)-1-phenylethyl pyridine-4-carboxylate--hydrogen chloride (1/2) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 44.9 Ų, 2-(Diethylamino)-1-phenylethyl pyridine-4-carboxylate--hydrogen chloride (1/2) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Diethylamino)-1-phenylethyl pyridine-4-carboxylate--hydrogen chloride (1/2) has 2 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-(Diethylamino)-1-phenylethyl pyridine-4-carboxylate--hydrogen chloride (1/2)?
The CAS number of 2-(Diethylamino)-1-phenylethyl pyridine-4-carboxylate--hydrogen chloride (1/2) is 108367-25-5.
What is the molecular formula of 2-(Diethylamino)-1-phenylethyl pyridine-4-carboxylate--hydrogen chloride (1/2)?
The molecular formula of 2-(Diethylamino)-1-phenylethyl pyridine-4-carboxylate--hydrogen chloride (1/2) is C18H24Cl2N2O2.
What is the molecular weight of 2-(Diethylamino)-1-phenylethyl pyridine-4-carboxylate--hydrogen chloride (1/2)?
The molecular weight of 2-(Diethylamino)-1-phenylethyl pyridine-4-carboxylate--hydrogen chloride (1/2) is 370.12 g/mol.
Where can I buy 2-(Diethylamino)-1-phenylethyl pyridine-4-carboxylate--hydrogen chloride (1/2)?
You can request a quote for 2-(Diethylamino)-1-phenylethyl pyridine-4-carboxylate--hydrogen chloride (1/2) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Diethylamino)-1-phenylethyl pyridine-4-carboxylate--hydrogen chloride (1/2)?
Yes, KEHONG BIO provides custom synthesis services for 2-(Diethylamino)-1-phenylethyl pyridine-4-carboxylate--hydrogen chloride (1/2) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.