7-Nitrophthalazin-1(2h)-one
TL;DR: 7-Nitrophthalazin-1(2h)-one (CAS 9086-72-0) is a chemical compound with molecular formula C8H5N3O3 and molecular weight 191.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-nitro-2H-phthalazin-1-one
Also Known As: 7-nitrophthalazin-1(2h)-one, 7-nitro-2H-phthalazin-1-one, 1(2H)-Phthalazinone, 7-nitro-, 7-nitro-1(2H)-phthalazinone, 1(2H)-Phthalazinone,7-nitro-
| Molecular Formula | C8H5N3O3 |
|---|---|
| Molecular Weight | 191.03 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 87.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 191.0331 |
| Heavy Atoms | 14 |
| Complexity | 297.0 |
Chemical Identifiers
| CAS Number | 9086-72-0 |
|---|---|
| SMILES | C1=CC2=C(C=C1[N+](=O)[O-])C(=O)NN=C2 |
| InChIKey | OOKJRZYVWWMGFI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-Nitrophthalazin-1(2h)-one (CAS 9086-72-0), with molecular formula C8H5N3O3 and molecular weight 191.03 g/mol. IUPAC: 7-nitro-2H-phthalazin-1-one.
Chemical Property Profile of 7-Nitrophthalazin-1(2h)-one
Property Insights of 7-Nitrophthalazin-1(2h)-one
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Nitrophthalazin-1(2h)-one. The TPSA of 87.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Nitrophthalazin-1(2h)-one. Following Lipinski's Rule of Five, 7-Nitrophthalazin-1(2h)-one 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 7-Nitrophthalazin-1(2h)-one?
The CAS number of 7-Nitrophthalazin-1(2h)-one is 9086-72-0.
What is the molecular formula of 7-Nitrophthalazin-1(2h)-one?
The molecular formula of 7-Nitrophthalazin-1(2h)-one is C8H5N3O3.
What is the molecular weight of 7-Nitrophthalazin-1(2h)-one?
The molecular weight of 7-Nitrophthalazin-1(2h)-one is 191.03 g/mol.
Where can I buy 7-Nitrophthalazin-1(2h)-one?
You can request a quote for 7-Nitrophthalazin-1(2h)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Nitrophthalazin-1(2h)-one?
Yes, KEHONG BIO provides custom synthesis services for 7-Nitrophthalazin-1(2h)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.