1H-Isoindole-1,3(2H)-dione, 2-(4-chloro-3-nitrophenyl)-4,5,6,7-tetrahydro-
TL;DR: 1H-Isoindole-1,3(2H)-dione, 2-(4-chloro-3-nitrophenyl)-4,5,6,7-tetrahydro- (CAS 76995-59-0) is a chemical compound with molecular formula C14H11ClN2O4 and molecular weight 306.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chloro-3-nitrophenyl)-4,5,6,7-tetrahydroisoindole-1,3-dione
Also Known As: 1H-Isoindole-1,3(2H)-dione, 2-(4-chloro-3-nitrophenyl)-4,5,6,7-tetrahydro-, 2-(4-Chloro-3-nitrophenyl)-4,5,6,7-tetrahydro-1H-isoindole-1,3(2H)-dione, 2-(4-chloro-3-nitrophenyl)-4,5,6,7-tetrahydroisoindole-1,3-dione, N-(3-nitro-4-chlorophenyl)-3,4,5,6-tetrahydrophthalimide, RefChem:239323
| Molecular Formula | C14H11ClN2O4 |
|---|---|
| Molecular Weight | 306.04 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 83.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 306.04074 |
| Heavy Atoms | 21 |
| Complexity | 512.0 |
Chemical Identifiers
| CAS Number | 76995-59-0 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=O)N(C2=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-] |
| InChIKey | IMMHAHVCJYXMJM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-Isoindole-1,3(2H)-dione, 2-(4-chloro-3-nitrophenyl)-4,5,6,7-tetrahydro- (CAS 76995-59-0), with molecular formula C14H11ClN2O4 and molecular weight 306.04 g/mol. IUPAC: 2-(4-chloro-3-nitrophenyl)-4,5,6,7-tetrahydroisoindole-1,3-dione.
Chemical Property Profile of 1H-Isoindole-1,3(2H)-dione, 2-(4-chloro-3-nitrophenyl)-4,5,6,7-tetrahydro-
Property Insights of 1H-Isoindole-1,3(2H)-dione, 2-(4-chloro-3-nitrophenyl)-4,5,6,7-tetrahydro-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Isoindole-1,3(2H)-dione, 2-(4-chloro-3-nitrophenyl)-4,5,6,7-tetrahydro-. The TPSA of 83.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Isoindole-1,3(2H)-dione, 2-(4-chloro-3-nitrophenyl)-4,5,6,7-tetrahydro-. Following Lipinski's Rule of Five, 1H-Isoindole-1,3(2H)-dione, 2-(4-chloro-3-nitrophenyl)-4,5,6,7-tetrahydro- has 0 hydrogen bond donor(s) and 4 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 1H-Isoindole-1,3(2H)-dione, 2-(4-chloro-3-nitrophenyl)-4,5,6,7-tetrahydro-?
The CAS number of 1H-Isoindole-1,3(2H)-dione, 2-(4-chloro-3-nitrophenyl)-4,5,6,7-tetrahydro- is 76995-59-0.
What is the molecular formula of 1H-Isoindole-1,3(2H)-dione, 2-(4-chloro-3-nitrophenyl)-4,5,6,7-tetrahydro-?
The molecular formula of 1H-Isoindole-1,3(2H)-dione, 2-(4-chloro-3-nitrophenyl)-4,5,6,7-tetrahydro- is C14H11ClN2O4.
What is the molecular weight of 1H-Isoindole-1,3(2H)-dione, 2-(4-chloro-3-nitrophenyl)-4,5,6,7-tetrahydro-?
The molecular weight of 1H-Isoindole-1,3(2H)-dione, 2-(4-chloro-3-nitrophenyl)-4,5,6,7-tetrahydro- is 306.04 g/mol.
Where can I buy 1H-Isoindole-1,3(2H)-dione, 2-(4-chloro-3-nitrophenyl)-4,5,6,7-tetrahydro-?
You can request a quote for 1H-Isoindole-1,3(2H)-dione, 2-(4-chloro-3-nitrophenyl)-4,5,6,7-tetrahydro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Isoindole-1,3(2H)-dione, 2-(4-chloro-3-nitrophenyl)-4,5,6,7-tetrahydro-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Isoindole-1,3(2H)-dione, 2-(4-chloro-3-nitrophenyl)-4,5,6,7-tetrahydro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.