4-Chloroisatin
TL;DR: 4-Chloroisatin (CAS 6344-05-4) 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.
4-chloro-1H-indole-2,3-dione
Also Known As: 4-Chloroisatin, 4-chloro-1H-indole-2,3-dione, 4-chloroindoline-2,3-dione, 4-chloro isatin, 4-Chloroindole-2,3-dione
| Molecular Formula | C8H4ClNO2 |
|---|---|
| Molecular Weight | 180.99 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 46.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 180.99306 |
| Heavy Atoms | 12 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 6344-05-4 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)Cl)C(=O)C(=O)N2 |
| InChIKey | HSYFISNDMZKGRS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Chloroisatin (CAS 6344-05-4), with molecular formula C8H4ClNO2 and molecular weight 180.99 g/mol. IUPAC: 4-chloro-1H-indole-2,3-dione.
Chemical Property Profile of 4-Chloroisatin
Property Insights of 4-Chloroisatin
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloroisatin. With a topological polar surface area (TPSA) of 46.2 Ų, 4-Chloroisatin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloroisatin 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 4-Chloroisatin?
The CAS number of 4-Chloroisatin is 6344-05-4.
What is the molecular formula of 4-Chloroisatin?
The molecular formula of 4-Chloroisatin is C8H4ClNO2.
What is the molecular weight of 4-Chloroisatin?
The molecular weight of 4-Chloroisatin is 180.99 g/mol.
Where can I buy 4-Chloroisatin?
You can request a quote for 4-Chloroisatin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloroisatin?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloroisatin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.