4-Chloro-7-methyl isatin
TL;DR: 4-Chloro-7-methyl isatin (CAS 61258-72-8) is a chemical compound with molecular formula C9H6ClNO2 and molecular weight 195.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-7-methyl-1H-indole-2,3-dione
Also Known As: 4-chloro-7-methylisatin, 4-Chloro-7-methyl-1H-indole-2,3-dione, 4-Chloro-7-methyl isatin, 4-chloro-7-methylindoline-2,3-dione, Isatin-based compound, 55
| Molecular Formula | C9H6ClNO2 |
|---|---|
| Molecular Weight | 195.01 g/mol |
| LogP | 1.78322 |
| Topological Polar Surface Area | 46.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 195.00871 |
| Heavy Atoms | 13 |
| Complexity | 425.86804 |
Chemical Identifiers
| CAS Number | 61258-72-8 |
|---|---|
| SMILES | CC1=C2C(=C(C=C1)Cl)C(=O)C(=O)N2 |
Product Overview
4-Chloro-7-methyl isatin (CAS 61258-72-8), with molecular formula C9H6ClNO2 and molecular weight 195.01 g/mol. IUPAC: 4-chloro-7-methyl-1H-indole-2,3-dione.
Chemical Property Profile of 4-Chloro-7-methyl isatin
Property Insights of 4-Chloro-7-methyl isatin
The XLogP value of 1.78322 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-7-methyl isatin. With a topological polar surface area (TPSA) of 46.17 Ų, 4-Chloro-7-methyl isatin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-7-methyl isatin 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-Chloro-7-methyl isatin?
The CAS number of 4-Chloro-7-methyl isatin is 61258-72-8.
What is the molecular formula of 4-Chloro-7-methyl isatin?
The molecular formula of 4-Chloro-7-methyl isatin is C9H6ClNO2.
What is the molecular weight of 4-Chloro-7-methyl isatin?
The molecular weight of 4-Chloro-7-methyl isatin is 195.01 g/mol.
Where can I buy 4-Chloro-7-methyl isatin?
You can request a quote for 4-Chloro-7-methyl isatin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-7-methyl isatin?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-7-methyl isatin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.