1(2H)-Phthalazinone, 4-methyl-8-nitro-
TL;DR: 1(2H)-Phthalazinone, 4-methyl-8-nitro- (CAS 16676-79-2) is a chemical compound with molecular formula C9H7N3O3 and molecular weight 205.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-8-nitro-2H-phthalazin-1-one
Also Known As: 1(2H)-Phthalazinone, 4-methyl-8-nitro-, 4-methyl-8-nitro-1,2-dihydrophthalazin-1-one, 4-Methyl-8-nitro-1(2H)-phthalazinone, 4-methyl-8-nitro-2H-phthalazin-1-one, 4-Methyl-8-nitrophthalazin-1(2H)-one
| Molecular Formula | C9H7N3O3 |
|---|---|
| Molecular Weight | 205.05 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 87.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 205.04874 |
| Heavy Atoms | 15 |
| Complexity | 334.0 |
Chemical Identifiers
| CAS Number | 16676-79-2 |
|---|---|
| SMILES | CC1=NNC(=O)C2=C1C=CC=C2[N+](=O)[O-] |
| InChIKey | HDAONGFMJJTPQU-UHFFFAOYSA-N |
Product Overview
1(2H)-Phthalazinone, 4-methyl-8-nitro- (CAS 16676-79-2), with molecular formula C9H7N3O3 and molecular weight 205.05 g/mol. IUPAC: 4-methyl-8-nitro-2H-phthalazin-1-one.
Chemical Property Profile of 1(2H)-Phthalazinone, 4-methyl-8-nitro-
Property Insights of 1(2H)-Phthalazinone, 4-methyl-8-nitro-
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1(2H)-Phthalazinone, 4-methyl-8-nitro-. The TPSA of 87.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1(2H)-Phthalazinone, 4-methyl-8-nitro-. Following Lipinski's Rule of Five, 1(2H)-Phthalazinone, 4-methyl-8-nitro- 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 1(2H)-Phthalazinone, 4-methyl-8-nitro-?
The CAS number of 1(2H)-Phthalazinone, 4-methyl-8-nitro- is 16676-79-2.
What is the molecular formula of 1(2H)-Phthalazinone, 4-methyl-8-nitro-?
The molecular formula of 1(2H)-Phthalazinone, 4-methyl-8-nitro- is C9H7N3O3.
What is the molecular weight of 1(2H)-Phthalazinone, 4-methyl-8-nitro-?
The molecular weight of 1(2H)-Phthalazinone, 4-methyl-8-nitro- is 205.05 g/mol.
Where can I buy 1(2H)-Phthalazinone, 4-methyl-8-nitro-?
You can request a quote for 1(2H)-Phthalazinone, 4-methyl-8-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1(2H)-Phthalazinone, 4-methyl-8-nitro-?
Yes, KEHONG BIO provides custom synthesis services for 1(2H)-Phthalazinone, 4-methyl-8-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.