2-(4-Chlorophenyl)hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione
TL;DR: 2-(4-Chlorophenyl)hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione (CAS 20711-86-8) is a chemical compound with molecular formula C14H12ClNO3 and molecular weight 277.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
Also Known As: 2-(4-chlorophenyl)hexahydro-1h-4,7-epoxyisoindole-1,3(2h)-dione, BIM-0047915.P001, 2-(4-chlorophenyl)-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione, 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboximide, N-(p-chlorophenyl)-, exo-(Z)-, exo,cis-N-(4-Chlorophenyl)-7-oxabicyclo(2.2.1)heptane-2,3-dicarboximide
| Molecular Formula | C14H12ClNO3 |
|---|---|
| Molecular Weight | 277.05 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 277.05057 |
| Heavy Atoms | 19 |
| Complexity | 404.0 |
Chemical Identifiers
| CAS Number | 20711-86-8 |
|---|---|
| SMILES | C1CC2C3C(C1O2)C(=O)N(C3=O)C4=CC=C(C=C4)Cl |
| InChIKey | ZKMVVYWUWBYAMV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(4-Chlorophenyl)hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione (CAS 20711-86-8), with molecular formula C14H12ClNO3 and molecular weight 277.05 g/mol. IUPAC: 2-(4-chlorophenyl)-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione.
Chemical Property Profile of 2-(4-Chlorophenyl)hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione
Property Insights of 2-(4-Chlorophenyl)hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Chlorophenyl)hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione. With a topological polar surface area (TPSA) of 46.6 Ų, 2-(4-Chlorophenyl)hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Chlorophenyl)hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione has 0 hydrogen bond donor(s) and 3 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-Chlorophenyl)hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione?
The CAS number of 2-(4-Chlorophenyl)hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione is 20711-86-8.
What is the molecular formula of 2-(4-Chlorophenyl)hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione?
The molecular formula of 2-(4-Chlorophenyl)hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione is C14H12ClNO3.
What is the molecular weight of 2-(4-Chlorophenyl)hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione?
The molecular weight of 2-(4-Chlorophenyl)hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione is 277.05 g/mol.
Where can I buy 2-(4-Chlorophenyl)hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione?
You can request a quote for 2-(4-Chlorophenyl)hexahydro-1H-4,7-epoxyisoindole-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-(4-Chlorophenyl)hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Chlorophenyl)hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.