2-tert-Butyl-4,5,6,7-tetrahydro-2H-4,7-methanoisoindole
TL;DR: 2-tert-Butyl-4,5,6,7-tetrahydro-2H-4,7-methanoisoindole (CAS 78593-85-8) is a chemical compound with molecular formula C13H19N and molecular weight 189.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butyl-4-azatricyclo[5.2.1.02,6]deca-2,5-diene
Also Known As: 2-tert-Butyl-4,5,6,7-tetrahydro-4,7-methanoisoindole, 4,5,6,7-Tetrahydro-2-tert-butyl-4,7-methanoisoindole, 4,7-Methanoisoindole, 4,5,6,7-tetrahydro-2-tert-butyl-, 2-tert-Butyl-4,5,6,7-tetrahydro-2H-4,7-methanoisoindole, 2-(t-butyl)-4,5,6,7-tetrahydro-4,7-methanoisoindole
| Molecular Formula | C13H19N |
|---|---|
| Molecular Weight | 189.15 g/mol |
| LogP | 3.6078 |
| Topological Polar Surface Area | 4.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 189.15175 |
| Heavy Atoms | 14 |
| Complexity | 339.57755 |
Chemical Identifiers
| CAS Number | 78593-85-8 |
|---|---|
| SMILES | CC(C)(C)N1C=C2C3CCC(C3)C2=C1 |
Product Overview
2-tert-Butyl-4,5,6,7-tetrahydro-2H-4,7-methanoisoindole (CAS 78593-85-8), with molecular formula C13H19N and molecular weight 189.15 g/mol. IUPAC: 4-tert-butyl-4-azatricyclo[5.2.1.02,6]deca-2,5-diene.
Chemical Property Profile of 2-tert-Butyl-4,5,6,7-tetrahydro-2H-4,7-methanoisoindole
Property Insights of 2-tert-Butyl-4,5,6,7-tetrahydro-2H-4,7-methanoisoindole
The XLogP value of 3.6078 indicates that 2-tert-Butyl-4,5,6,7-tetrahydro-2H-4,7-methanoisoindole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 4.93 Ų, 2-tert-Butyl-4,5,6,7-tetrahydro-2H-4,7-methanoisoindole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-tert-Butyl-4,5,6,7-tetrahydro-2H-4,7-methanoisoindole has 0 hydrogen bond donor(s) and 0 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 2-tert-Butyl-4,5,6,7-tetrahydro-2H-4,7-methanoisoindole?
The CAS number of 2-tert-Butyl-4,5,6,7-tetrahydro-2H-4,7-methanoisoindole is 78593-85-8.
What is the molecular formula of 2-tert-Butyl-4,5,6,7-tetrahydro-2H-4,7-methanoisoindole?
The molecular formula of 2-tert-Butyl-4,5,6,7-tetrahydro-2H-4,7-methanoisoindole is C13H19N.
What is the molecular weight of 2-tert-Butyl-4,5,6,7-tetrahydro-2H-4,7-methanoisoindole?
The molecular weight of 2-tert-Butyl-4,5,6,7-tetrahydro-2H-4,7-methanoisoindole is 189.15 g/mol.
Where can I buy 2-tert-Butyl-4,5,6,7-tetrahydro-2H-4,7-methanoisoindole?
You can request a quote for 2-tert-Butyl-4,5,6,7-tetrahydro-2H-4,7-methanoisoindole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-tert-Butyl-4,5,6,7-tetrahydro-2H-4,7-methanoisoindole?
Yes, KEHONG BIO provides custom synthesis services for 2-tert-Butyl-4,5,6,7-tetrahydro-2H-4,7-methanoisoindole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.