1(2H)-Phthalazinone, 2-benzyl-4-methyl-8-nitro-
TL;DR: 1(2H)-Phthalazinone, 2-benzyl-4-methyl-8-nitro- (CAS 16676-81-6) is a chemical compound with molecular formula C16H13N3O3 and molecular weight 295.0957 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-benzyl-4-methyl-8-nitrophthalazin-1-one
Also Known As: 1(2H)-Phthalazinone, 2-benzyl-4-methyl-8-nitro-, 2-Benzyl-4-methyl-8-nitro-1(2H)-phthalazinone, 5-24-03-00234 (Beilstein Handbook Reference), 2-benzyl-4-methyl-8-nitrophthalazin-1-one, 2-Benzyl-4-methyl-8-nitrophthalazin-1(2H)-one
Technical Specifications
| Molecular Formula | C16H13N3O3 |
| Molecular Weight | 295.0957 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 78.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 295.0957 Da |
| Heavy Atoms | 22 |
| Complexity | 480.0 |
| SMILES | CC1=NN(C(=O)C2=C1C=CC=C2[N+](=O)[O-])CC3=CC=CC=C3 |
| InChIKey | QELUACRNOBXZCM-UHFFFAOYSA-N |
Chemical Property Profile of 1(2H)-Phthalazinone, 2-benzyl-4-methyl-8-nitro-
Property Insights of 1(2H)-Phthalazinone, 2-benzyl-4-methyl-8-nitro-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1(2H)-Phthalazinone, 2-benzyl-4-methyl-8-nitro-. The TPSA of 78.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1(2H)-Phthalazinone, 2-benzyl-4-methyl-8-nitro-. Following Lipinski's Rule of Five, 1(2H)-Phthalazinone, 2-benzyl-4-methyl-8-nitro- 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
What is the CAS number of 1(2H)-Phthalazinone, 2-benzyl-4-methyl-8-nitro-?
The CAS number of 1(2H)-Phthalazinone, 2-benzyl-4-methyl-8-nitro- is 16676-81-6.
What is the molecular formula of 1(2H)-Phthalazinone, 2-benzyl-4-methyl-8-nitro-?
The molecular formula of 1(2H)-Phthalazinone, 2-benzyl-4-methyl-8-nitro- is C16H13N3O3.
What is the molecular weight of 1(2H)-Phthalazinone, 2-benzyl-4-methyl-8-nitro-?
The molecular weight of 1(2H)-Phthalazinone, 2-benzyl-4-methyl-8-nitro- is 295.0957 g/mol.
Where can I buy 1(2H)-Phthalazinone, 2-benzyl-4-methyl-8-nitro-?
You can request a quote for 1(2H)-Phthalazinone, 2-benzyl-4-methyl-8-nitro- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1(2H)-Phthalazinone, 2-benzyl-4-methyl-8-nitro-?
Yes, CoreyChem provides custom synthesis services for 1(2H)-Phthalazinone, 2-benzyl-4-methyl-8-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.