Chlorphthalim
TL;DR: Chlorphthalim (CAS 39985-63-2) is a chemical compound with molecular formula C14H12ClNO2 and molecular weight 261.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)-4,5,6,7-tetrahydroisoindole-1,3-dione
Also Known As: Diamate, Chlorphthalim, Chlorindrin, chlorophthalim, CHLOROPHTHALIUM
| Molecular Formula | C14H12ClNO2 |
|---|---|
| Molecular Weight | 261.06 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 37.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 261.05566 |
| Heavy Atoms | 18 |
| Complexity | 394.0 |
Chemical Identifiers
| CAS Number | 39985-63-2 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=O)N(C2=O)C3=CC=C(C=C3)Cl |
| InChIKey | MJQBFSWPMMHVSM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Chlorphthalim (CAS 39985-63-2), with molecular formula C14H12ClNO2 and molecular weight 261.06 g/mol. IUPAC: 2-(4-chlorophenyl)-4,5,6,7-tetrahydroisoindole-1,3-dione.
Chemical Property Profile of Chlorphthalim
Property Insights of Chlorphthalim
The XLogP value of 3.1 indicates that Chlorphthalim is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.4 Ų, Chlorphthalim exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chlorphthalim 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 Chlorphthalim?
The CAS number of Chlorphthalim is 39985-63-2.
What is the molecular formula of Chlorphthalim?
The molecular formula of Chlorphthalim is C14H12ClNO2.
What is the molecular weight of Chlorphthalim?
The molecular weight of Chlorphthalim is 261.06 g/mol.
Where can I buy Chlorphthalim?
You can request a quote for Chlorphthalim directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chlorphthalim?
Yes, KEHONG BIO provides custom synthesis services for Chlorphthalim and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.