8-Phenyl-1,2,3,5,6,8-hexahydro-4,7-methano-1,4,7-benzotriazecin-13-one
TL;DR: 8-Phenyl-1,2,3,5,6,8-hexahydro-4,7-methano-1,4,7-benzotriazecin-13-one (CAS 76896-26-9) is a chemical compound with molecular formula C18H19N3O and molecular weight 293.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenyl-1,9,12-triazatricyclo[10.2.1.03,8]pentadeca-3,5,7-trien-15-one
Also Known As: phenyl[?]one, 8-Phenyl-1,2,3,5,6,8-hexahydro-4,7-methano-1,4,7-benzotriazecin-13-one, 7-phenyl-2,3,4,5,6,7-hexahydro-1H-4,6-ethano-1,4,6-benzotria
| Molecular Formula | C18H19N3O |
|---|---|
| Molecular Weight | 293.15 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 35.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 293.1528 |
| Heavy Atoms | 22 |
| Complexity | 407.0 |
Chemical Identifiers
| CAS Number | 76896-26-9 |
|---|---|
| SMILES | C1CN2CCN(C2=O)C(C3=CC=CC=C3N1)C4=CC=CC=C4 |
| InChIKey | RHKPCZPSRMHZPT-UHFFFAOYSA-N |
Product Overview
8-Phenyl-1,2,3,5,6,8-hexahydro-4,7-methano-1,4,7-benzotriazecin-13-one (CAS 76896-26-9), with molecular formula C18H19N3O and molecular weight 293.15 g/mol. IUPAC: 2-phenyl-1,9,12-triazatricyclo[10.2.1.03,8]pentadeca-3,5,7-trien-15-one.
Chemical Property Profile of 8-Phenyl-1,2,3,5,6,8-hexahydro-4,7-methano-1,4,7-benzotriazecin-13-one
Property Insights of 8-Phenyl-1,2,3,5,6,8-hexahydro-4,7-methano-1,4,7-benzotriazecin-13-one
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Phenyl-1,2,3,5,6,8-hexahydro-4,7-methano-1,4,7-benzotriazecin-13-one. With a topological polar surface area (TPSA) of 35.6 Ų, 8-Phenyl-1,2,3,5,6,8-hexahydro-4,7-methano-1,4,7-benzotriazecin-13-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-Phenyl-1,2,3,5,6,8-hexahydro-4,7-methano-1,4,7-benzotriazecin-13-one has 1 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 8-Phenyl-1,2,3,5,6,8-hexahydro-4,7-methano-1,4,7-benzotriazecin-13-one?
The CAS number of 8-Phenyl-1,2,3,5,6,8-hexahydro-4,7-methano-1,4,7-benzotriazecin-13-one is 76896-26-9.
What is the molecular formula of 8-Phenyl-1,2,3,5,6,8-hexahydro-4,7-methano-1,4,7-benzotriazecin-13-one?
The molecular formula of 8-Phenyl-1,2,3,5,6,8-hexahydro-4,7-methano-1,4,7-benzotriazecin-13-one is C18H19N3O.
What is the molecular weight of 8-Phenyl-1,2,3,5,6,8-hexahydro-4,7-methano-1,4,7-benzotriazecin-13-one?
The molecular weight of 8-Phenyl-1,2,3,5,6,8-hexahydro-4,7-methano-1,4,7-benzotriazecin-13-one is 293.15 g/mol.
Where can I buy 8-Phenyl-1,2,3,5,6,8-hexahydro-4,7-methano-1,4,7-benzotriazecin-13-one?
You can request a quote for 8-Phenyl-1,2,3,5,6,8-hexahydro-4,7-methano-1,4,7-benzotriazecin-13-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Phenyl-1,2,3,5,6,8-hexahydro-4,7-methano-1,4,7-benzotriazecin-13-one?
Yes, KEHONG BIO provides custom synthesis services for 8-Phenyl-1,2,3,5,6,8-hexahydro-4,7-methano-1,4,7-benzotriazecin-13-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.