Pyridinium, 3-(aminocarbonyl)-1-(phenylmethyl)-, chloride (1:1)
TL;DR: Pyridinium, 3-(aminocarbonyl)-1-(phenylmethyl)-, chloride (1:1) (CAS 5096-13-9) is a chemical compound with molecular formula C13H13ClN2O and molecular weight 248.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzylpyridin-1-ium-3-carboxamide chloride
Also Known As: N-Benzylniacinamide, chloride, N-Benzylnicotinamide chloride, Pyridinium, chloride, 1-Benzylnicotinamide chloride, 1-Benzyl-3-carbamoylpyridinium chloride
| Molecular Formula | C13H13ClN2O |
|---|---|
| Molecular Weight | 248.07 g/mol |
| LogP | -1.87 |
| Topological Polar Surface Area | 47.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.07164 |
| Heavy Atoms | 17 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 5096-13-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C[N+]2=CC=CC(=C2)C(=O)N.[Cl-] |
| InChIKey | XLYNVJJFQHWCEU-UHFFFAOYSA-N |
Product Overview
Pyridinium, 3-(aminocarbonyl)-1-(phenylmethyl)-, chloride (1:1) (CAS 5096-13-9), with molecular formula C13H13ClN2O and molecular weight 248.07 g/mol. IUPAC: 1-benzylpyridin-1-ium-3-carboxamide chloride.
Chemical Property Profile of Pyridinium, 3-(aminocarbonyl)-1-(phenylmethyl)-, chloride (1:1)
Property Insights of Pyridinium, 3-(aminocarbonyl)-1-(phenylmethyl)-, chloride (1:1)
The XLogP value of -1.87 indicates that Pyridinium, 3-(aminocarbonyl)-1-(phenylmethyl)-, chloride (1:1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 47.0 Ų, Pyridinium, 3-(aminocarbonyl)-1-(phenylmethyl)-, chloride (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyridinium, 3-(aminocarbonyl)-1-(phenylmethyl)-, chloride (1:1) has 1 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 Pyridinium, 3-(aminocarbonyl)-1-(phenylmethyl)-, chloride (1:1)?
The CAS number of Pyridinium, 3-(aminocarbonyl)-1-(phenylmethyl)-, chloride (1:1) is 5096-13-9.
What is the molecular formula of Pyridinium, 3-(aminocarbonyl)-1-(phenylmethyl)-, chloride (1:1)?
The molecular formula of Pyridinium, 3-(aminocarbonyl)-1-(phenylmethyl)-, chloride (1:1) is C13H13ClN2O.
What is the molecular weight of Pyridinium, 3-(aminocarbonyl)-1-(phenylmethyl)-, chloride (1:1)?
The molecular weight of Pyridinium, 3-(aminocarbonyl)-1-(phenylmethyl)-, chloride (1:1) is 248.07 g/mol.
Where can I buy Pyridinium, 3-(aminocarbonyl)-1-(phenylmethyl)-, chloride (1:1)?
You can request a quote for Pyridinium, 3-(aminocarbonyl)-1-(phenylmethyl)-, chloride (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyridinium, 3-(aminocarbonyl)-1-(phenylmethyl)-, chloride (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Pyridinium, 3-(aminocarbonyl)-1-(phenylmethyl)-, chloride (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.