1,2,3,6-tetrahydro-N-octyl-3,6-methanophthalimide
TL;DR: 1,2,3,6-tetrahydro-N-octyl-3,6-methanophthalimide (CAS 7786-80-3) is a chemical compound with molecular formula C17H25NO2 and molecular weight 275.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-octyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
Also Known As: N-Octylbicycloheptene dicarboximide, 2,5-Dimethylbenzyl chloride, 1,2,3,6-Tetrahydro-N-octyl-3,6-methanophthalimide, N-Octyl bicycloheptene dicarboximide, 4-octyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
| Molecular Formula | C17H25NO2 |
|---|---|
| Molecular Weight | 275.19 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 37.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 275.18854 |
| Heavy Atoms | 20 |
| Complexity | 399.0 |
Chemical Identifiers
| CAS Number | 7786-80-3 |
|---|---|
| SMILES | CCCCCCCCN1C(=O)C2C3CC(C2C1=O)C=C3 |
| InChIKey | YLHCJWZWKGVBOS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2,3,6-tetrahydro-N-octyl-3,6-methanophthalimide (CAS 7786-80-3), with molecular formula C17H25NO2 and molecular weight 275.19 g/mol. IUPAC: 4-octyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.
Chemical Property Profile of 1,2,3,6-tetrahydro-N-octyl-3,6-methanophthalimide
Property Insights of 1,2,3,6-tetrahydro-N-octyl-3,6-methanophthalimide
The XLogP value of 3.7 indicates that 1,2,3,6-tetrahydro-N-octyl-3,6-methanophthalimide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.4 Ų, 1,2,3,6-tetrahydro-N-octyl-3,6-methanophthalimide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,3,6-tetrahydro-N-octyl-3,6-methanophthalimide has 0 hydrogen bond donor(s) and 2 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 1,2,3,6-tetrahydro-N-octyl-3,6-methanophthalimide?
The CAS number of 1,2,3,6-tetrahydro-N-octyl-3,6-methanophthalimide is 7786-80-3.
What is the molecular formula of 1,2,3,6-tetrahydro-N-octyl-3,6-methanophthalimide?
The molecular formula of 1,2,3,6-tetrahydro-N-octyl-3,6-methanophthalimide is C17H25NO2.
What is the molecular weight of 1,2,3,6-tetrahydro-N-octyl-3,6-methanophthalimide?
The molecular weight of 1,2,3,6-tetrahydro-N-octyl-3,6-methanophthalimide is 275.19 g/mol.
Where can I buy 1,2,3,6-tetrahydro-N-octyl-3,6-methanophthalimide?
You can request a quote for 1,2,3,6-tetrahydro-N-octyl-3,6-methanophthalimide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3,6-tetrahydro-N-octyl-3,6-methanophthalimide?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3,6-tetrahydro-N-octyl-3,6-methanophthalimide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.