1-Oxoisoindole
TL;DR: 1-Oxoisoindole (CAS 5434-52-6) is a chemical compound with molecular formula C8H5NO and molecular weight 131.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
isoindol-1-one
Also Known As: 1-Oxoisoindole, 1H-Isoindol-1-one, Isoindol-1-one, ISOINDOLONE, 1h-isoindolone
| Molecular Formula | C8H5NO |
|---|---|
| Molecular Weight | 131.04 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 29.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 131.03711 |
| Heavy Atoms | 10 |
| Complexity | 186.0 |
Chemical Identifiers
| CAS Number | 5434-52-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=NC2=O |
| InChIKey | XTBAPWCYTNCZTO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Oxoisoindole (CAS 5434-52-6), with molecular formula C8H5NO and molecular weight 131.04 g/mol. IUPAC: isoindol-1-one.
Chemical Property Profile of 1-Oxoisoindole
Property Insights of 1-Oxoisoindole
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Oxoisoindole. With a topological polar surface area (TPSA) of 29.4 Ų, 1-Oxoisoindole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Oxoisoindole has 0 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 1-Oxoisoindole?
The CAS number of 1-Oxoisoindole is 5434-52-6.
What is the molecular formula of 1-Oxoisoindole?
The molecular formula of 1-Oxoisoindole is C8H5NO.
What is the molecular weight of 1-Oxoisoindole?
The molecular weight of 1-Oxoisoindole is 131.04 g/mol.
Where can I buy 1-Oxoisoindole?
You can request a quote for 1-Oxoisoindole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Oxoisoindole?
Yes, KEHONG BIO provides custom synthesis services for 1-Oxoisoindole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.