3-(Aminocarbonyl)-1-(4-chlorobenzyl)pyridinium chloride
TL;DR: 3-(Aminocarbonyl)-1-(4-chlorobenzyl)pyridinium chloride (CAS 6951-52-6) is a chemical compound with molecular formula C13H12Cl2N2O and molecular weight 282.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-chlorophenyl)methyl]pyridin-1-ium-3-carboxamide chloride
Also Known As: 3-(aminocarbonyl)-1-(4-chlorobenzyl)pyridinium chloride, 1-(4'-chloro-benzyl)-3-carbamoyl-pyridinium-chloride, 3-carbamoyl-1-[(4-chlorophenyl)methyl]pyridin-1-ium chloride, 1-[(4-chlorophenyl)methyl]pyridine-5-carboxamide Chloride, 1-[(4-chlorophenyl)methyl]pyridin-1-ium-3-carboxamide chloride
| Molecular Formula | C13H12Cl2N2O |
|---|---|
| Molecular Weight | 282.03 g/mol |
| LogP | -1.2213 |
| Topological Polar Surface Area | 46.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 282.03265 |
| Heavy Atoms | 18 |
| Complexity | 540.94244 |
Chemical Identifiers
| CAS Number | 6951-52-6 |
|---|---|
| SMILES | C1=CC(=C[N+](=C1)CC2=CC=C(C=C2)Cl)C(=O)N.[Cl-] |
Product Overview
3-(Aminocarbonyl)-1-(4-chlorobenzyl)pyridinium chloride (CAS 6951-52-6), with molecular formula C13H12Cl2N2O and molecular weight 282.03 g/mol. IUPAC: 1-[(4-chlorophenyl)methyl]pyridin-1-ium-3-carboxamide chloride.
Chemical Property Profile of 3-(Aminocarbonyl)-1-(4-chlorobenzyl)pyridinium chloride
Property Insights of 3-(Aminocarbonyl)-1-(4-chlorobenzyl)pyridinium chloride
The XLogP value of -1.2213 indicates that 3-(Aminocarbonyl)-1-(4-chlorobenzyl)pyridinium chloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 46.97 Ų, 3-(Aminocarbonyl)-1-(4-chlorobenzyl)pyridinium chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Aminocarbonyl)-1-(4-chlorobenzyl)pyridinium chloride has 1 hydrogen bond donor(s) and 1 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 3-(Aminocarbonyl)-1-(4-chlorobenzyl)pyridinium chloride?
The CAS number of 3-(Aminocarbonyl)-1-(4-chlorobenzyl)pyridinium chloride is 6951-52-6.
What is the molecular formula of 3-(Aminocarbonyl)-1-(4-chlorobenzyl)pyridinium chloride?
The molecular formula of 3-(Aminocarbonyl)-1-(4-chlorobenzyl)pyridinium chloride is C13H12Cl2N2O.
What is the molecular weight of 3-(Aminocarbonyl)-1-(4-chlorobenzyl)pyridinium chloride?
The molecular weight of 3-(Aminocarbonyl)-1-(4-chlorobenzyl)pyridinium chloride is 282.03 g/mol.
Where can I buy 3-(Aminocarbonyl)-1-(4-chlorobenzyl)pyridinium chloride?
You can request a quote for 3-(Aminocarbonyl)-1-(4-chlorobenzyl)pyridinium chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Aminocarbonyl)-1-(4-chlorobenzyl)pyridinium chloride?
Yes, KEHONG BIO provides custom synthesis services for 3-(Aminocarbonyl)-1-(4-chlorobenzyl)pyridinium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.