Octahydro-1h-isoindol-1-one
TL;DR: Octahydro-1h-isoindol-1-one (CAS 2555-11-5) is a chemical compound with molecular formula C8H13NO and molecular weight 139.10 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-octahydroisoindol-1-one
Also Known As: octahydro-1h-isoindol-1-one, perhydroisoindolone, octahydro-isoindol-1-one, cis-Octahydro-1H-isoindol-1-one, Octahydro-1H-isoindole-1-one
| Molecular Formula | C8H13NO |
|---|---|
| Molecular Weight | 139.10 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 139.09972 |
| Heavy Atoms | 10 |
| Complexity | 155.0 |
Chemical Identifiers
| CAS Number | 2555-11-5 |
|---|---|
| SMILES | C1CCC2C(C1)CNC2=O |
| InChIKey | JKYNCKNIVHDOKU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Octahydro-1h-isoindol-1-one (CAS 2555-11-5), with molecular formula C8H13NO and molecular weight 139.10 g/mol. IUPAC: 2,3,3a,4,5,6,7,7a-octahydroisoindol-1-one.
Chemical Property Profile of Octahydro-1h-isoindol-1-one
Property Insights of Octahydro-1h-isoindol-1-one
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Octahydro-1h-isoindol-1-one. With a topological polar surface area (TPSA) of 29.1 Ų, Octahydro-1h-isoindol-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octahydro-1h-isoindol-1-one 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 Octahydro-1h-isoindol-1-one?
The CAS number of Octahydro-1h-isoindol-1-one is 2555-11-5.
What is the molecular formula of Octahydro-1h-isoindol-1-one?
The molecular formula of Octahydro-1h-isoindol-1-one is C8H13NO.
What is the molecular weight of Octahydro-1h-isoindol-1-one?
The molecular weight of Octahydro-1h-isoindol-1-one is 139.10 g/mol.
Where can I buy Octahydro-1h-isoindol-1-one?
You can request a quote for Octahydro-1h-isoindol-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octahydro-1h-isoindol-1-one?
Yes, KEHONG BIO provides custom synthesis services for Octahydro-1h-isoindol-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.