1H-Benz(e)indole-1,2(3H)-dione
TL;DR: 1H-Benz(e)indole-1,2(3H)-dione (CAS 5588-87-4) is a chemical compound with molecular formula C12H7NO2 and molecular weight 197.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3H-benzo[e]indole-1,2-dione
Also Known As: benzo[e]isatin, benz[e]isatin, 4,5-Benzoisatin, beta-Naphthisatin, Benz(e)isatin
| Molecular Formula | C12H7NO2 |
|---|---|
| Molecular Weight | 197.05 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 46.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 197.04768 |
| Heavy Atoms | 15 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 5588-87-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC3=C2C(=O)C(=O)N3 |
| InChIKey | RVZFBDVLNFODOM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-Benz(e)indole-1,2(3H)-dione (CAS 5588-87-4), with molecular formula C12H7NO2 and molecular weight 197.05 g/mol. IUPAC: 3H-benzo[e]indole-1,2-dione.
Chemical Property Profile of 1H-Benz(e)indole-1,2(3H)-dione
Property Insights of 1H-Benz(e)indole-1,2(3H)-dione
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Benz(e)indole-1,2(3H)-dione. With a topological polar surface area (TPSA) of 46.2 Ų, 1H-Benz(e)indole-1,2(3H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Benz(e)indole-1,2(3H)-dione has 1 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 1H-Benz(e)indole-1,2(3H)-dione?
The CAS number of 1H-Benz(e)indole-1,2(3H)-dione is 5588-87-4.
What is the molecular formula of 1H-Benz(e)indole-1,2(3H)-dione?
The molecular formula of 1H-Benz(e)indole-1,2(3H)-dione is C12H7NO2.
What is the molecular weight of 1H-Benz(e)indole-1,2(3H)-dione?
The molecular weight of 1H-Benz(e)indole-1,2(3H)-dione is 197.05 g/mol.
Where can I buy 1H-Benz(e)indole-1,2(3H)-dione?
You can request a quote for 1H-Benz(e)indole-1,2(3H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Benz(e)indole-1,2(3H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 1H-Benz(e)indole-1,2(3H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.