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Benzo [f]-1,5-diazabicyclo[3.2.2]nonene
TL;DR: Benzo [f]-1,5-diazabicyclo[3.2.2]nonene (CAS 7092-76-4) is a chemical compound with molecular formula C11H14N2 and molecular weight 174.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,8-diazatricyclo[6.3.2.02,7]trideca-2,4,6-triene
Also Known As: Benzo [f]-1,5-diazabicyclo[3.2.2]nonene, 3,4-Dihydro-2H-1,5-ethano-1,5-benzodiazepine, 1,5-Ethano-2H-1,5-benzodiazepine,3,4-dihydro-, 1,8-Diazatricyclo[6.3.2.02,7]trideca-2,4,6-triene, 1,5-Ethano-2H-1,5-benzodiazepine,3,4-dihydro-(8CI,9CI)
| Molecular Formula | C11H14N2 |
|---|---|
| Molecular Weight | 174.12 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 6.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 174.11569 |
| Heavy Atoms | 13 |
| Complexity | 173.0 |
Chemical Identifiers
| CAS Number | 7092-76-4 |
|---|---|
| SMILES | C1CN2CCN(C1)C3=CC=CC=C32 |
| InChIKey | PVEXHBMANJIBNX-UHFFFAOYSA-N |
Product Overview
Benzo [f]-1,5-diazabicyclo[3.2.2]nonene (CAS 7092-76-4), with molecular formula C11H14N2 and molecular weight 174.12 g/mol. IUPAC: 1,8-diazatricyclo[6.3.2.02,7]trideca-2,4,6-triene.
Chemical Property Profile of Benzo [f]-1,5-diazabicyclo[3.2.2]nonene
Property Insights of Benzo [f]-1,5-diazabicyclo[3.2.2]nonene
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzo [f]-1,5-diazabicyclo[3.2.2]nonene. With a topological polar surface area (TPSA) of 6.5 Ų, Benzo [f]-1,5-diazabicyclo[3.2.2]nonene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo [f]-1,5-diazabicyclo[3.2.2]nonene 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 Benzo [f]-1,5-diazabicyclo[3.2.2]nonene?
The CAS number of Benzo [f]-1,5-diazabicyclo[3.2.2]nonene is 7092-76-4.
What is the molecular formula of Benzo [f]-1,5-diazabicyclo[3.2.2]nonene?
The molecular formula of Benzo [f]-1,5-diazabicyclo[3.2.2]nonene is C11H14N2.
What is the molecular weight of Benzo [f]-1,5-diazabicyclo[3.2.2]nonene?
The molecular weight of Benzo [f]-1,5-diazabicyclo[3.2.2]nonene is 174.12 g/mol.
Where can I buy Benzo [f]-1,5-diazabicyclo[3.2.2]nonene?
You can request a quote for Benzo [f]-1,5-diazabicyclo[3.2.2]nonene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzo [f]-1,5-diazabicyclo[3.2.2]nonene?
Yes, KEHONG BIO provides custom synthesis services for Benzo [f]-1,5-diazabicyclo[3.2.2]nonene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.