N-methyl-2,7-diazapyrenium
TL;DR: N-methyl-2,7-diazapyrenium (CAS 129693-89-6) is a chemical compound with molecular formula C15H11N2+ and molecular weight 219.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-13-aza-6-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,8(16),9,11(15),12-octaene
Also Known As: N-Methyl-2,7-diazapyrenium, 3,5-Difluorobenzoyl chloride, 2-Methyl-2-azonia-7-azapyrene, 2-Methyl-2,7-diazapyrene-2-ium, 2-methylbenzo[lmn][3,8]phenanthrolin-2-ium
| Molecular Formula | C15H11N2+ |
|---|---|
| Molecular Weight | 219.09 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 16.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 219.09222 |
| Heavy Atoms | 17 |
| Complexity | 277.0 |
Chemical Identifiers
| CAS Number | 129693-89-6 |
|---|---|
| SMILES | C[N+]1=CC2=C3C(=C1)C=CC4=CN=CC(=C43)C=C2 |
| InChIKey | BNSBLOJAOBUSCP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-methyl-2,7-diazapyrenium (CAS 129693-89-6), with molecular formula C15H11N2+ and molecular weight 219.09 g/mol. IUPAC: 6-methyl-13-aza-6-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,8(16),9,11(15),12-octaene.
Chemical Property Profile of N-methyl-2,7-diazapyrenium
Property Insights of N-methyl-2,7-diazapyrenium
The XLogP value of 3.0 indicates that N-methyl-2,7-diazapyrenium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 16.8 Ų, N-methyl-2,7-diazapyrenium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-methyl-2,7-diazapyrenium has 0 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 N-methyl-2,7-diazapyrenium?
The CAS number of N-methyl-2,7-diazapyrenium is 129693-89-6.
What is the molecular formula of N-methyl-2,7-diazapyrenium?
The molecular formula of N-methyl-2,7-diazapyrenium is C15H11N2+.
What is the molecular weight of N-methyl-2,7-diazapyrenium?
The molecular weight of N-methyl-2,7-diazapyrenium is 219.09 g/mol.
Where can I buy N-methyl-2,7-diazapyrenium?
You can request a quote for N-methyl-2,7-diazapyrenium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-methyl-2,7-diazapyrenium?
Yes, KEHONG BIO provides custom synthesis services for N-methyl-2,7-diazapyrenium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.