1-Benzyl-3-carbamoylpyridinium
TL;DR: 1-Benzyl-3-carbamoylpyridinium (CAS 16183-83-8) is a chemical compound with molecular formula C13H13N2O+ and molecular weight 213.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzylpyridin-1-ium-3-carboxamide
Also Known As: 1-benzyl-3-carbamoylpyridinium, 1-benzylpyridin-1-ium-3-carboxamide, 1-benzylnicotinamidium cation, N-Benzylnicotinamide chloride, 1-BENZYL-3-CARBAMOYLPYRIDIN-1-IUM
| Molecular Formula | C13H13N2O+ |
|---|---|
| Molecular Weight | 213.10 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 47.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 213.10278 |
| Heavy Atoms | 16 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 16183-83-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C[N+]2=CC=CC(=C2)C(=O)N |
| InChIKey | GPBSRPLIMMWMQS-UHFFFAOYSA-O |
Product Overview
1-Benzyl-3-carbamoylpyridinium (CAS 16183-83-8), with molecular formula C13H13N2O+ and molecular weight 213.10 g/mol. IUPAC: 1-benzylpyridin-1-ium-3-carboxamide.
Chemical Property Profile of 1-Benzyl-3-carbamoylpyridinium
Property Insights of 1-Benzyl-3-carbamoylpyridinium
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzyl-3-carbamoylpyridinium. With a topological polar surface area (TPSA) of 47.0 Ų, 1-Benzyl-3-carbamoylpyridinium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzyl-3-carbamoylpyridinium 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 1-Benzyl-3-carbamoylpyridinium?
The CAS number of 1-Benzyl-3-carbamoylpyridinium is 16183-83-8.
What is the molecular formula of 1-Benzyl-3-carbamoylpyridinium?
The molecular formula of 1-Benzyl-3-carbamoylpyridinium is C13H13N2O+.
What is the molecular weight of 1-Benzyl-3-carbamoylpyridinium?
The molecular weight of 1-Benzyl-3-carbamoylpyridinium is 213.10 g/mol.
Where can I buy 1-Benzyl-3-carbamoylpyridinium?
You can request a quote for 1-Benzyl-3-carbamoylpyridinium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzyl-3-carbamoylpyridinium?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-3-carbamoylpyridinium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.