Octahydroisoindole
TL;DR: Octahydroisoindole (CAS 6949-87-7) is a chemical compound with molecular formula C8H15N and molecular weight 125.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole
Also Known As: Octahydro-1H-isoindole, Octahydroisoindole, Octahydro-isoindole, cis-octahydro-isoindole, perhydroisoindole
| Molecular Formula | C8H15N |
|---|---|
| Molecular Weight | 125.12 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 125.12045 |
| Heavy Atoms | 9 |
| Complexity | 88.0 |
Chemical Identifiers
| CAS Number | 6949-87-7 |
|---|---|
| SMILES | C1CCC2CNCC2C1 |
| InChIKey | ODSNARDHJFFSRH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Octahydroisoindole (CAS 6949-87-7), with molecular formula C8H15N and molecular weight 125.12 g/mol. IUPAC: 2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole.
Chemical Property Profile of Octahydroisoindole
Property Insights of Octahydroisoindole
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Octahydroisoindole. With a topological polar surface area (TPSA) of 12.0 Ų, Octahydroisoindole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octahydroisoindole 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 Octahydroisoindole?
The CAS number of Octahydroisoindole is 6949-87-7.
What is the molecular formula of Octahydroisoindole?
The molecular formula of Octahydroisoindole is C8H15N.
What is the molecular weight of Octahydroisoindole?
The molecular weight of Octahydroisoindole is 125.12 g/mol.
Where can I buy Octahydroisoindole?
You can request a quote for Octahydroisoindole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octahydroisoindole?
Yes, KEHONG BIO provides custom synthesis services for Octahydroisoindole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.