5-Nitrophthalazine-1,4-dione
TL;DR: 5-Nitrophthalazine-1,4-dione (CAS 54535-42-1) is a chemical compound with molecular formula C8H3N3O4 and molecular weight 205.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-nitrophthalazine-1,4-dione
Also Known As: 5-nitrophthalazine-1,4-dione, 3-Nitrophthalhydrazide, 5-nitro-2,3-dihydrophthalazine-1,4-dione
| Molecular Formula | C8H3N3O4 |
|---|---|
| Molecular Weight | 205.01 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 205.01236 |
| Heavy Atoms | 15 |
| Complexity | 359.0 |
Chemical Identifiers
| CAS Number | 54535-42-1 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N=NC2=O |
| InChIKey | LIECQLQBUMAANP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Nitrophthalazine-1,4-dione (CAS 54535-42-1), with molecular formula C8H3N3O4 and molecular weight 205.01 g/mol. IUPAC: 5-nitrophthalazine-1,4-dione.
Chemical Property Profile of 5-Nitrophthalazine-1,4-dione
Property Insights of 5-Nitrophthalazine-1,4-dione
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Nitrophthalazine-1,4-dione. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Nitrophthalazine-1,4-dione. Following Lipinski's Rule of Five, 5-Nitrophthalazine-1,4-dione 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 5-Nitrophthalazine-1,4-dione?
The CAS number of 5-Nitrophthalazine-1,4-dione is 54535-42-1.
What is the molecular formula of 5-Nitrophthalazine-1,4-dione?
The molecular formula of 5-Nitrophthalazine-1,4-dione is C8H3N3O4.
What is the molecular weight of 5-Nitrophthalazine-1,4-dione?
The molecular weight of 5-Nitrophthalazine-1,4-dione is 205.01 g/mol.
Where can I buy 5-Nitrophthalazine-1,4-dione?
You can request a quote for 5-Nitrophthalazine-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 5-Nitrophthalazine-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-Nitrophthalazine-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.