Benzpyrinium
TL;DR: Benzpyrinium (CAS 701897-98-5) is a chemical compound with molecular formula C15H17N2O2+ and molecular weight 257.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-benzylpyridin-1-ium-3-yl) N,N-dimethylcarbamate
Also Known As: Benzpyrinium, Benzpyrinium ion, Benzpyrinium cation, 1-Benzyl-3-hydroxypyridinium dimethylcarbamate, (1-benzylpyridin-5-yl) N,N-dimethylcarbamate
| Molecular Formula | C15H17N2O2+ |
|---|---|
| Molecular Weight | 257.13 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 33.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 257.129 |
| Heavy Atoms | 19 |
| Complexity | 288.0 |
Chemical Identifiers
| CAS Number | 701897-98-5 |
|---|---|
| SMILES | CN(C)C(=O)OC1=C[N+](=CC=C1)CC2=CC=CC=C2 |
| InChIKey | JWSLMDWREGSKAJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzpyrinium (CAS 701897-98-5), with molecular formula C15H17N2O2+ and molecular weight 257.13 g/mol. IUPAC: (1-benzylpyridin-1-ium-3-yl) N,N-dimethylcarbamate.
Chemical Property Profile of Benzpyrinium
Property Insights of Benzpyrinium
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzpyrinium. With a topological polar surface area (TPSA) of 33.4 Ų, Benzpyrinium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzpyrinium has 0 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 Benzpyrinium?
The CAS number of Benzpyrinium is 701897-98-5.
What is the molecular formula of Benzpyrinium?
The molecular formula of Benzpyrinium is C15H17N2O2+.
What is the molecular weight of Benzpyrinium?
The molecular weight of Benzpyrinium is 257.13 g/mol.
Where can I buy Benzpyrinium?
You can request a quote for Benzpyrinium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzpyrinium?
Yes, KEHONG BIO provides custom synthesis services for Benzpyrinium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.