2-(4-Nitroanilino)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
TL;DR: 2-(4-Nitroanilino)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione (CAS 61152-64-5) is a chemical compound with molecular formula C14H13N3O4 and molecular weight 287.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-nitroanilino)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
Also Known As: 2-((4-Nitrophenyl)amino)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione, 1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-((4-nitrophenyl)amino)-, 2-(4-Nitroanilino)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione, 2-(4-nitroanilino)-3a,4,7,7a-tetrahydroisoindole-1,3-dione, RefChem:1061323
| Molecular Formula | C14H13N3O4 |
|---|---|
| Molecular Weight | 287.09 g/mol |
| LogP | 1.8729 |
| Topological Polar Surface Area | 92.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 287.0906 |
| Heavy Atoms | 21 |
| Complexity | 612.12415 |
Chemical Identifiers
| CAS Number | 61152-64-5 |
|---|---|
| SMILES | C1C=CCC2C1C(=O)N(C2=O)NC3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
2-(4-Nitroanilino)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione (CAS 61152-64-5), with molecular formula C14H13N3O4 and molecular weight 287.09 g/mol. IUPAC: 2-(4-nitroanilino)-3a,4,7,7a-tetrahydroisoindole-1,3-dione.
Chemical Property Profile of 2-(4-Nitroanilino)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Property Insights of 2-(4-Nitroanilino)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
The XLogP value of 1.8729 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Nitroanilino)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione. The TPSA of 92.55 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Nitroanilino)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione. Following Lipinski's Rule of Five, 2-(4-Nitroanilino)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione has 1 hydrogen bond donor(s) and 5 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-Nitroanilino)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione?
The CAS number of 2-(4-Nitroanilino)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione is 61152-64-5.
What is the molecular formula of 2-(4-Nitroanilino)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione?
The molecular formula of 2-(4-Nitroanilino)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione is C14H13N3O4.
What is the molecular weight of 2-(4-Nitroanilino)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione?
The molecular weight of 2-(4-Nitroanilino)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione is 287.09 g/mol.
Where can I buy 2-(4-Nitroanilino)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione?
You can request a quote for 2-(4-Nitroanilino)-3a,4,7,7a-tetrahydro-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-(4-Nitroanilino)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Nitroanilino)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.