3-(4-nitrophenyl)-2H-phthalazine-1,4-dione
TL;DR: 3-(4-nitrophenyl)-2H-phthalazine-1,4-dione (CAS 93716-69-9) is a chemical compound with molecular formula C14H9N3O4 and molecular weight 283.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-nitrophenyl)-2H-phthalazine-1,4-dione
Also Known As: 3-(4-nitrophenyl)-2H-phthalazine-1,4-dione, BAS 00125550, 2-(4-nitrophenyl)-2,3-dihydro-1,4-phthalazinedione, 2-(4-nitrophenyl)-2,3-dihydrophthalazine-1,4-dione, 4-hydroxy-2-(4-nitrophenyl)phthalazin-1-one
| Molecular Formula | C14H9N3O4 |
|---|---|
| Molecular Weight | 283.06 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 95.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 283.0593 |
| Heavy Atoms | 21 |
| Complexity | 454.0 |
Chemical Identifiers
| CAS Number | 93716-69-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)NN(C2=O)C3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | POOVNRMVMWCFKK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(4-nitrophenyl)-2H-phthalazine-1,4-dione (CAS 93716-69-9), with molecular formula C14H9N3O4 and molecular weight 283.06 g/mol. IUPAC: 3-(4-nitrophenyl)-2H-phthalazine-1,4-dione.
Chemical Property Profile of 3-(4-nitrophenyl)-2H-phthalazine-1,4-dione
Property Insights of 3-(4-nitrophenyl)-2H-phthalazine-1,4-dione
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-nitrophenyl)-2H-phthalazine-1,4-dione. The TPSA of 95.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-nitrophenyl)-2H-phthalazine-1,4-dione. Following Lipinski's Rule of Five, 3-(4-nitrophenyl)-2H-phthalazine-1,4-dione has 1 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 3-(4-nitrophenyl)-2H-phthalazine-1,4-dione?
The CAS number of 3-(4-nitrophenyl)-2H-phthalazine-1,4-dione is 93716-69-9.
What is the molecular formula of 3-(4-nitrophenyl)-2H-phthalazine-1,4-dione?
The molecular formula of 3-(4-nitrophenyl)-2H-phthalazine-1,4-dione is C14H9N3O4.
What is the molecular weight of 3-(4-nitrophenyl)-2H-phthalazine-1,4-dione?
The molecular weight of 3-(4-nitrophenyl)-2H-phthalazine-1,4-dione is 283.06 g/mol.
Where can I buy 3-(4-nitrophenyl)-2H-phthalazine-1,4-dione?
You can request a quote for 3-(4-nitrophenyl)-2H-phthalazine-1,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-nitrophenyl)-2H-phthalazine-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-nitrophenyl)-2H-phthalazine-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.