1-phenyl-3a,4,5,6,7,7a-hexahydro-1H-4,7-methano-1,2,3-benzotriazole
TL;DR: 1-phenyl-3a,4,5,6,7,7a-hexahydro-1H-4,7-methano-1,2,3-benzotriazole (CAS 22668-04-8) is a chemical compound with molecular formula C13H15N3 and molecular weight 213.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-phenyl-3,4,5-triazatricyclo[5.2.1.02,6]dec-3-ene
Also Known As: phenyl[?], 1-phenyl-3a,4,5,6,7,7a-hexahydro-1H-4,7-methano-1,2,3-benzotriazole, 1-phenyl-3a,4,5,6,7,7a-hexahydro-1H-4,7-methano-benzo[1,2,3], 1-Phenyl-3a,4,5,6,7,7a-hexahydro-1H-4,7-methanobenzotriazole
| Molecular Formula | C13H15N3 |
|---|---|
| Molecular Weight | 213.13 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 28.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 213.1266 |
| Heavy Atoms | 16 |
| Complexity | 308.0 |
Chemical Identifiers
| CAS Number | 22668-04-8 |
|---|---|
| SMILES | C1CC2CC1C3C2N(N=N3)C4=CC=CC=C4 |
| InChIKey | MXDIENSFVIZEQS-UHFFFAOYSA-N |
Product Overview
1-phenyl-3a,4,5,6,7,7a-hexahydro-1H-4,7-methano-1,2,3-benzotriazole (CAS 22668-04-8), with molecular formula C13H15N3 and molecular weight 213.13 g/mol. IUPAC: 5-phenyl-3,4,5-triazatricyclo[5.2.1.02,6]dec-3-ene.
Chemical Property Profile of 1-phenyl-3a,4,5,6,7,7a-hexahydro-1H-4,7-methano-1,2,3-benzotriazole
Property Insights of 1-phenyl-3a,4,5,6,7,7a-hexahydro-1H-4,7-methano-1,2,3-benzotriazole
The XLogP value of 3.4 indicates that 1-phenyl-3a,4,5,6,7,7a-hexahydro-1H-4,7-methano-1,2,3-benzotriazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.0 Ų, 1-phenyl-3a,4,5,6,7,7a-hexahydro-1H-4,7-methano-1,2,3-benzotriazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-phenyl-3a,4,5,6,7,7a-hexahydro-1H-4,7-methano-1,2,3-benzotriazole has 0 hydrogen bond donor(s) and 3 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 1-phenyl-3a,4,5,6,7,7a-hexahydro-1H-4,7-methano-1,2,3-benzotriazole?
The CAS number of 1-phenyl-3a,4,5,6,7,7a-hexahydro-1H-4,7-methano-1,2,3-benzotriazole is 22668-04-8.
What is the molecular formula of 1-phenyl-3a,4,5,6,7,7a-hexahydro-1H-4,7-methano-1,2,3-benzotriazole?
The molecular formula of 1-phenyl-3a,4,5,6,7,7a-hexahydro-1H-4,7-methano-1,2,3-benzotriazole is C13H15N3.
What is the molecular weight of 1-phenyl-3a,4,5,6,7,7a-hexahydro-1H-4,7-methano-1,2,3-benzotriazole?
The molecular weight of 1-phenyl-3a,4,5,6,7,7a-hexahydro-1H-4,7-methano-1,2,3-benzotriazole is 213.13 g/mol.
Where can I buy 1-phenyl-3a,4,5,6,7,7a-hexahydro-1H-4,7-methano-1,2,3-benzotriazole?
You can request a quote for 1-phenyl-3a,4,5,6,7,7a-hexahydro-1H-4,7-methano-1,2,3-benzotriazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-phenyl-3a,4,5,6,7,7a-hexahydro-1H-4,7-methano-1,2,3-benzotriazole?
Yes, KEHONG BIO provides custom synthesis services for 1-phenyl-3a,4,5,6,7,7a-hexahydro-1H-4,7-methano-1,2,3-benzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.