![9-Azatricyclo[6.4.1.02,7]trideca-2,4,6-triene structure](/static/products/767/76776-95-9.png)
9-Azatricyclo[6.4.1.02,7]trideca-2,4,6-triene
TL;DR: 9-Azatricyclo[6.4.1.02,7]trideca-2,4,6-triene (CAS 76776-95-9) is a chemical compound with molecular formula C12H15N and molecular weight 173.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-azatricyclo[6.4.1.02,7]trideca-2,4,6-triene
Also Known As: 1,6-Methano-2-benzazocine, 1,2,3,4,5,6-hexahydro-
| Molecular Formula | C12H15N |
|---|---|
| Molecular Weight | 173.12 g/mol |
| LogP | 2.5984 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 173.12045 |
| Heavy Atoms | 13 |
| Complexity | 287.65546 |
Chemical Identifiers
| CAS Number | 76776-95-9 |
|---|---|
| SMILES | C1CC2CC(C3=CC=CC=C23)NC1 |
Product Overview
9-Azatricyclo[6.4.1.02,7]trideca-2,4,6-triene (CAS 76776-95-9), with molecular formula C12H15N and molecular weight 173.12 g/mol. IUPAC: 9-azatricyclo[6.4.1.02,7]trideca-2,4,6-triene.
Chemical Property Profile of 9-Azatricyclo[6.4.1.02,7]trideca-2,4,6-triene
Property Insights of 9-Azatricyclo[6.4.1.02,7]trideca-2,4,6-triene
The XLogP value of 2.5984 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-Azatricyclo[6.4.1.02,7]trideca-2,4,6-triene. With a topological polar surface area (TPSA) of 12.03 Ų, 9-Azatricyclo[6.4.1.02,7]trideca-2,4,6-triene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-Azatricyclo[6.4.1.02,7]trideca-2,4,6-triene has 1 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 9-Azatricyclo[6.4.1.02,7]trideca-2,4,6-triene?
The CAS number of 9-Azatricyclo[6.4.1.02,7]trideca-2,4,6-triene is 76776-95-9.
What is the molecular formula of 9-Azatricyclo[6.4.1.02,7]trideca-2,4,6-triene?
The molecular formula of 9-Azatricyclo[6.4.1.02,7]trideca-2,4,6-triene is C12H15N.
What is the molecular weight of 9-Azatricyclo[6.4.1.02,7]trideca-2,4,6-triene?
The molecular weight of 9-Azatricyclo[6.4.1.02,7]trideca-2,4,6-triene is 173.12 g/mol.
Where can I buy 9-Azatricyclo[6.4.1.02,7]trideca-2,4,6-triene?
You can request a quote for 9-Azatricyclo[6.4.1.02,7]trideca-2,4,6-triene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Azatricyclo[6.4.1.02,7]trideca-2,4,6-triene?
Yes, KEHONG BIO provides custom synthesis services for 9-Azatricyclo[6.4.1.02,7]trideca-2,4,6-triene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.