2-(4-Chloro-butyl)-isoindole-1,3-dione
TL;DR: 2-(4-Chloro-butyl)-isoindole-1,3-dione (CAS 42152-99-8) is a chemical compound with molecular formula C12H12ClNO2 and molecular weight 237.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorobutyl)isoindole-1,3-dione
Also Known As: N-(4-Chlorobutyl)phthalimide, 2-(4-CHLORO-BUTYL)-ISOINDOLE-1,3-DIONE, 2-(4-chlorobutyl)isoindole-1,3-dione, N-(4-chlorobutyl)-phthalimide, N-(4-chloro-butyl)-phthalimide
| Molecular Formula | C12H12ClNO2 |
|---|---|
| Molecular Weight | 237.06 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 37.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 237.05565 |
| Heavy Atoms | 16 |
| Complexity | 269.0 |
Chemical Identifiers
| CAS Number | 42152-99-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCCl |
| InChIKey | WUXVKQNZTXLHLL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(4-Chloro-butyl)-isoindole-1,3-dione (CAS 42152-99-8), with molecular formula C12H12ClNO2 and molecular weight 237.06 g/mol. IUPAC: 2-(4-chlorobutyl)isoindole-1,3-dione.
Chemical Property Profile of 2-(4-Chloro-butyl)-isoindole-1,3-dione
Property Insights of 2-(4-Chloro-butyl)-isoindole-1,3-dione
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Chloro-butyl)-isoindole-1,3-dione. With a topological polar surface area (TPSA) of 37.4 Ų, 2-(4-Chloro-butyl)-isoindole-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Chloro-butyl)-isoindole-1,3-dione 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 2-(4-Chloro-butyl)-isoindole-1,3-dione?
The CAS number of 2-(4-Chloro-butyl)-isoindole-1,3-dione is 42152-99-8.
What is the molecular formula of 2-(4-Chloro-butyl)-isoindole-1,3-dione?
The molecular formula of 2-(4-Chloro-butyl)-isoindole-1,3-dione is C12H12ClNO2.
What is the molecular weight of 2-(4-Chloro-butyl)-isoindole-1,3-dione?
The molecular weight of 2-(4-Chloro-butyl)-isoindole-1,3-dione is 237.06 g/mol.
Where can I buy 2-(4-Chloro-butyl)-isoindole-1,3-dione?
You can request a quote for 2-(4-Chloro-butyl)-isoindole-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Chloro-butyl)-isoindole-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Chloro-butyl)-isoindole-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.