1-Chloro-2,3-indoledione
TL;DR: 1-Chloro-2,3-indoledione (CAS 2959-03-7) is a chemical compound with molecular formula C8H4ClNO2 and molecular weight 180.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloroindole-2,3-dione
Also Known As: 1-Chloro-2,3-indoledione, Chloroisatin, Isatinchlorid, 1-Chloroindoline-2,3-dione, 1-chloroindole-2,3-dione
| Molecular Formula | C8H4ClNO2 |
|---|---|
| Molecular Weight | 180.99 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 37.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 180.99306 |
| Heavy Atoms | 12 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 2959-03-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C(=O)N2Cl |
| InChIKey | ZGPFGHSOYPBCGI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Chloro-2,3-indoledione (CAS 2959-03-7), with molecular formula C8H4ClNO2 and molecular weight 180.99 g/mol. IUPAC: 1-chloroindole-2,3-dione.
Chemical Property Profile of 1-Chloro-2,3-indoledione
Property Insights of 1-Chloro-2,3-indoledione
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Chloro-2,3-indoledione. With a topological polar surface area (TPSA) of 37.4 Ų, 1-Chloro-2,3-indoledione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-2,3-indoledione 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-Chloro-2,3-indoledione?
The CAS number of 1-Chloro-2,3-indoledione is 2959-03-7.
What is the molecular formula of 1-Chloro-2,3-indoledione?
The molecular formula of 1-Chloro-2,3-indoledione is C8H4ClNO2.
What is the molecular weight of 1-Chloro-2,3-indoledione?
The molecular weight of 1-Chloro-2,3-indoledione is 180.99 g/mol.
Where can I buy 1-Chloro-2,3-indoledione?
You can request a quote for 1-Chloro-2,3-indoledione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloro-2,3-indoledione?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-2,3-indoledione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.