N,N'-Dimethyl-2,7-diazapyrenium difluoroborate
TL;DR: N,N'-Dimethyl-2,7-diazapyrenium difluoroborate (CAS 21178-14-3) is a chemical compound with molecular formula C16H14B2F8N2 and molecular weight 408.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,13-dimethyl-6,13-diazoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,8(16),9,11(15),12-octaene ditetrafluoroborate
Also Known As: N,N'-Dimethyl-2,7-diazapyrenium difluoroborate, 2,7-Dimethylbenzo[lmn][3,8]phenanthroline-2,7-diium tetrafluoroborate, N,N'-Dimethyl-2,7-Diazapyrenium bistetrafluoroborate, N,N'-dimethyl-2,7-diazapyrene ditetrafluoroborate, 2,7-Dimethyl-benzo[lmn][3,8]phenanthrolinium bistetrafluoroborate
| Molecular Formula | C16H14B2F8N2 |
|---|---|
| Molecular Weight | 408.12 g/mol |
| LogP | 4.833 |
| Topological Polar Surface Area | 7.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 408.12152 |
| Heavy Atoms | 28 |
| Complexity | 929.53925 |
Chemical Identifiers
| CAS Number | 21178-14-3 |
|---|---|
| SMILES | [B-](F)(F)(F)F.[B-](F)(F)(F)F.C[N+]1=CC2=C3C(=C1)C=CC4=C[N+](=CC(=C43)C=C2)C |
Product Overview
N,N'-Dimethyl-2,7-diazapyrenium difluoroborate (CAS 21178-14-3), with molecular formula C16H14B2F8N2 and molecular weight 408.12 g/mol. IUPAC: 6,13-dimethyl-6,13-diazoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,8(16),9,11(15),12-octaene ditetrafluoroborate.
Chemical Property Profile of N,N'-Dimethyl-2,7-diazapyrenium difluoroborate
Property Insights of N,N'-Dimethyl-2,7-diazapyrenium difluoroborate
The XLogP value of 4.833 indicates that N,N'-Dimethyl-2,7-diazapyrenium difluoroborate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 7.76 Ų, N,N'-Dimethyl-2,7-diazapyrenium difluoroborate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N'-Dimethyl-2,7-diazapyrenium difluoroborate has 0 hydrogen bond donor(s) and 0 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,N'-Dimethyl-2,7-diazapyrenium difluoroborate?
The CAS number of N,N'-Dimethyl-2,7-diazapyrenium difluoroborate is 21178-14-3.
What is the molecular formula of N,N'-Dimethyl-2,7-diazapyrenium difluoroborate?
The molecular formula of N,N'-Dimethyl-2,7-diazapyrenium difluoroborate is C16H14B2F8N2.
What is the molecular weight of N,N'-Dimethyl-2,7-diazapyrenium difluoroborate?
The molecular weight of N,N'-Dimethyl-2,7-diazapyrenium difluoroborate is 408.12 g/mol.
Where can I buy N,N'-Dimethyl-2,7-diazapyrenium difluoroborate?
You can request a quote for N,N'-Dimethyl-2,7-diazapyrenium difluoroborate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N'-Dimethyl-2,7-diazapyrenium difluoroborate?
Yes, KEHONG BIO provides custom synthesis services for N,N'-Dimethyl-2,7-diazapyrenium difluoroborate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.