![1-phenyl-3a,4,7,7a-tetrahydro-1H-4,7-ethano-benzo[1,2,3]tria structure](/static/products/673/67367-15-1.png)
1-phenyl-3a,4,7,7a-tetrahydro-1H-4,7-ethano-benzo[1,2,3]tria
TL;DR: 1-phenyl-3a,4,7,7a-tetrahydro-1H-4,7-ethano-benzo[1,2,3]tria (CAS 67367-15-1) is a chemical compound with molecular formula C18H19N3O4 and molecular weight 341.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-phenyl-3,4,5-triazatricyclo[5.2.2.02,6]undeca-3,8-diene-8,9-dicarboxylate
Also Known As: 1-phenyl-3a,4,7,7a-tetrahydro-1H-4,7-ethano-benzo[1,2,3]tria
| Molecular Formula | C18H19N3O4 |
|---|---|
| Molecular Weight | 341.14 g/mol |
| LogP | 2.2934 |
| Topological Polar Surface Area | 80.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 341.13754 |
| Heavy Atoms | 25 |
| Complexity | 773.78564 |
Chemical Identifiers
| CAS Number | 67367-15-1 |
|---|---|
| SMILES | COC(=O)C1=C(C2CCC1C3C2N(N=N3)C4=CC=CC=C4)C(=O)OC |
Product Overview
1-phenyl-3a,4,7,7a-tetrahydro-1H-4,7-ethano-benzo[1,2,3]tria (CAS 67367-15-1), with molecular formula C18H19N3O4 and molecular weight 341.14 g/mol. IUPAC: dimethyl 5-phenyl-3,4,5-triazatricyclo[5.2.2.02,6]undeca-3,8-diene-8,9-dicarboxylate.
Chemical Property Profile of 1-phenyl-3a,4,7,7a-tetrahydro-1H-4,7-ethano-benzo[1,2,3]tria
Property Insights of 1-phenyl-3a,4,7,7a-tetrahydro-1H-4,7-ethano-benzo[1,2,3]tria
The XLogP value of 2.2934 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-phenyl-3a,4,7,7a-tetrahydro-1H-4,7-ethano-benzo[1,2,3]tria. The TPSA of 80.56 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-phenyl-3a,4,7,7a-tetrahydro-1H-4,7-ethano-benzo[1,2,3]tria. Following Lipinski's Rule of Five, 1-phenyl-3a,4,7,7a-tetrahydro-1H-4,7-ethano-benzo[1,2,3]tria has 0 hydrogen bond donor(s) and 7 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,4,7,7a-tetrahydro-1H-4,7-ethano-benzo[1,2,3]tria?
The CAS number of 1-phenyl-3a,4,7,7a-tetrahydro-1H-4,7-ethano-benzo[1,2,3]tria is 67367-15-1.
What is the molecular formula of 1-phenyl-3a,4,7,7a-tetrahydro-1H-4,7-ethano-benzo[1,2,3]tria?
The molecular formula of 1-phenyl-3a,4,7,7a-tetrahydro-1H-4,7-ethano-benzo[1,2,3]tria is C18H19N3O4.
What is the molecular weight of 1-phenyl-3a,4,7,7a-tetrahydro-1H-4,7-ethano-benzo[1,2,3]tria?
The molecular weight of 1-phenyl-3a,4,7,7a-tetrahydro-1H-4,7-ethano-benzo[1,2,3]tria is 341.14 g/mol.
Where can I buy 1-phenyl-3a,4,7,7a-tetrahydro-1H-4,7-ethano-benzo[1,2,3]tria?
You can request a quote for 1-phenyl-3a,4,7,7a-tetrahydro-1H-4,7-ethano-benzo[1,2,3]tria 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,4,7,7a-tetrahydro-1H-4,7-ethano-benzo[1,2,3]tria?
Yes, KEHONG BIO provides custom synthesis services for 1-phenyl-3a,4,7,7a-tetrahydro-1H-4,7-ethano-benzo[1,2,3]tria and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.