Pyridinium, 3-(aminocarbonyl)-1-(phenylmethyl)-, bromide
TL;DR: Pyridinium, 3-(aminocarbonyl)-1-(phenylmethyl)-, bromide (CAS 13076-43-2) is a chemical compound with molecular formula C13H13BrN2O and molecular weight 292.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzylpyridin-1-ium-3-carboxamide bromide
Also Known As: 1-Benzyl-3-carbamoylpyridin-1-ium bromide, N-Benzylnicotinamide, benzylnicotinamide dinucleotide bromide, Pyridinium, 3-(aminocarbonyl)-1-(phenylmethyl)-, bromide, 1-benzylpyridine-5-carboxamide Bromide
| Molecular Formula | C13H13BrN2O |
|---|---|
| Molecular Weight | 292.02 g/mol |
| LogP | -1.8747 |
| Topological Polar Surface Area | 46.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 292.02112 |
| Heavy Atoms | 17 |
| Complexity | 499.78247 |
Chemical Identifiers
| CAS Number | 13076-43-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C[N+]2=CC=CC(=C2)C(=O)N.[Br-] |
Product Overview
Pyridinium, 3-(aminocarbonyl)-1-(phenylmethyl)-, bromide (CAS 13076-43-2), with molecular formula C13H13BrN2O and molecular weight 292.02 g/mol. IUPAC: 1-benzylpyridin-1-ium-3-carboxamide bromide.
Chemical Property Profile of Pyridinium, 3-(aminocarbonyl)-1-(phenylmethyl)-, bromide
Property Insights of Pyridinium, 3-(aminocarbonyl)-1-(phenylmethyl)-, bromide
The XLogP value of -1.8747 indicates that Pyridinium, 3-(aminocarbonyl)-1-(phenylmethyl)-, bromide 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, Pyridinium, 3-(aminocarbonyl)-1-(phenylmethyl)-, bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyridinium, 3-(aminocarbonyl)-1-(phenylmethyl)-, bromide 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 Pyridinium, 3-(aminocarbonyl)-1-(phenylmethyl)-, bromide?
The CAS number of Pyridinium, 3-(aminocarbonyl)-1-(phenylmethyl)-, bromide is 13076-43-2.
What is the molecular formula of Pyridinium, 3-(aminocarbonyl)-1-(phenylmethyl)-, bromide?
The molecular formula of Pyridinium, 3-(aminocarbonyl)-1-(phenylmethyl)-, bromide is C13H13BrN2O.
What is the molecular weight of Pyridinium, 3-(aminocarbonyl)-1-(phenylmethyl)-, bromide?
The molecular weight of Pyridinium, 3-(aminocarbonyl)-1-(phenylmethyl)-, bromide is 292.02 g/mol.
Where can I buy Pyridinium, 3-(aminocarbonyl)-1-(phenylmethyl)-, bromide?
You can request a quote for Pyridinium, 3-(aminocarbonyl)-1-(phenylmethyl)-, bromide 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)-, bromide?
Yes, KEHONG BIO provides custom synthesis services for Pyridinium, 3-(aminocarbonyl)-1-(phenylmethyl)-, bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.