2,3,3a,4,7,7a-hexahydro-1H-4,7-methanoisoindole
TL;DR: 2,3,3a,4,7,7a-hexahydro-1H-4,7-methanoisoindole (CAS 5263-68-3) is a chemical compound with molecular formula C9H13N and molecular weight 135.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-azatricyclo[5.2.1.02,6]dec-8-ene
Also Known As: 4-azatricyclo[5.2.1.02,6]dec-8-ene, 2,3,3a,4,7,7a-hexahydro-1H-4,7-methanoisoindole, 4-azatricyclo[5.2.1.0?,?]dec-8-ene, 4-azatricyclo[5.2.1.0,2,6]dec-8-ene, 4-Aza-tricyclo[5.2.1.0*2,6*]dec-8-e
| Molecular Formula | C9H13N |
|---|---|
| Molecular Weight | 135.10 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 135.1048 |
| Heavy Atoms | 10 |
| Complexity | 167.0 |
Chemical Identifiers
| CAS Number | 5263-68-3 |
|---|---|
| SMILES | C1C2C=CC1C3C2CNC3 |
| InChIKey | CJMPQJDYEONFGO-UHFFFAOYSA-N |
Product Overview
2,3,3a,4,7,7a-hexahydro-1H-4,7-methanoisoindole (CAS 5263-68-3), with molecular formula C9H13N and molecular weight 135.10 g/mol. IUPAC: 4-azatricyclo[5.2.1.02,6]dec-8-ene.
Chemical Property Profile of 2,3,3a,4,7,7a-hexahydro-1H-4,7-methanoisoindole
Property Insights of 2,3,3a,4,7,7a-hexahydro-1H-4,7-methanoisoindole
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3,3a,4,7,7a-hexahydro-1H-4,7-methanoisoindole. With a topological polar surface area (TPSA) of 12.0 Ų, 2,3,3a,4,7,7a-hexahydro-1H-4,7-methanoisoindole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,3a,4,7,7a-hexahydro-1H-4,7-methanoisoindole 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 2,3,3a,4,7,7a-hexahydro-1H-4,7-methanoisoindole?
The CAS number of 2,3,3a,4,7,7a-hexahydro-1H-4,7-methanoisoindole is 5263-68-3.
What is the molecular formula of 2,3,3a,4,7,7a-hexahydro-1H-4,7-methanoisoindole?
The molecular formula of 2,3,3a,4,7,7a-hexahydro-1H-4,7-methanoisoindole is C9H13N.
What is the molecular weight of 2,3,3a,4,7,7a-hexahydro-1H-4,7-methanoisoindole?
The molecular weight of 2,3,3a,4,7,7a-hexahydro-1H-4,7-methanoisoindole is 135.10 g/mol.
Where can I buy 2,3,3a,4,7,7a-hexahydro-1H-4,7-methanoisoindole?
You can request a quote for 2,3,3a,4,7,7a-hexahydro-1H-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 2,3,3a,4,7,7a-hexahydro-1H-4,7-methanoisoindole?
Yes, KEHONG BIO provides custom synthesis services for 2,3,3a,4,7,7a-hexahydro-1H-4,7-methanoisoindole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.