2-butyl-4,5,6,7-tetrachloro-1H-isoindole-1,3(2H)-dione
TL;DR: 2-butyl-4,5,6,7-tetrachloro-1H-isoindole-1,3(2H)-dione (CAS 63586-14-1) is a chemical compound with molecular formula C12H9Cl4NO2 and molecular weight 338.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butyl-4,5,6,7-tetrachloroisoindole-1,3-dione
Also Known As: N-n-butyltetrachlorophthalimide, tetrachloro-N-n-butylphthal-imide, N-Butyl-3,4,5,6-tetrachlorophthalimide, 2-butyl-4,5,6,7-tetrachloro-1H-isoindole-1,3(2H)-dione, 2-butyl-4,5,6,7-tetrachloroisoindole-1,3-dione
| Molecular Formula | C12H9Cl4NO2 |
|---|---|
| Molecular Weight | 338.94 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 37.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 338.93875 |
| Heavy Atoms | 19 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 63586-14-1 |
|---|---|
| SMILES | CCCCN1C(=O)C2=C(C1=O)C(=C(C(=C2Cl)Cl)Cl)Cl |
| InChIKey | FEUPZKQRLZAQLP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-butyl-4,5,6,7-tetrachloro-1H-isoindole-1,3(2H)-dione (CAS 63586-14-1), with molecular formula C12H9Cl4NO2 and molecular weight 338.94 g/mol. IUPAC: 2-butyl-4,5,6,7-tetrachloroisoindole-1,3-dione.
Chemical Property Profile of 2-butyl-4,5,6,7-tetrachloro-1H-isoindole-1,3(2H)-dione
Property Insights of 2-butyl-4,5,6,7-tetrachloro-1H-isoindole-1,3(2H)-dione
The XLogP value of 4.7 indicates that 2-butyl-4,5,6,7-tetrachloro-1H-isoindole-1,3(2H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.4 Ų, 2-butyl-4,5,6,7-tetrachloro-1H-isoindole-1,3(2H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-butyl-4,5,6,7-tetrachloro-1H-isoindole-1,3(2H)-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-butyl-4,5,6,7-tetrachloro-1H-isoindole-1,3(2H)-dione?
The CAS number of 2-butyl-4,5,6,7-tetrachloro-1H-isoindole-1,3(2H)-dione is 63586-14-1.
What is the molecular formula of 2-butyl-4,5,6,7-tetrachloro-1H-isoindole-1,3(2H)-dione?
The molecular formula of 2-butyl-4,5,6,7-tetrachloro-1H-isoindole-1,3(2H)-dione is C12H9Cl4NO2.
What is the molecular weight of 2-butyl-4,5,6,7-tetrachloro-1H-isoindole-1,3(2H)-dione?
The molecular weight of 2-butyl-4,5,6,7-tetrachloro-1H-isoindole-1,3(2H)-dione is 338.94 g/mol.
Where can I buy 2-butyl-4,5,6,7-tetrachloro-1H-isoindole-1,3(2H)-dione?
You can request a quote for 2-butyl-4,5,6,7-tetrachloro-1H-isoindole-1,3(2H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-butyl-4,5,6,7-tetrachloro-1H-isoindole-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-butyl-4,5,6,7-tetrachloro-1H-isoindole-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.