4-(4-Anilino-3-nitrophenyl)-2-methylphthalazin-1-one
TL;DR: 4-(4-Anilino-3-nitrophenyl)-2-methylphthalazin-1-one (CAS 684235-20-9) is a chemical compound with molecular formula C21H16N4O3 and molecular weight 372.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-anilino-3-nitrophenyl)-2-methylphthalazin-1-one
Also Known As: 4-(4-anilino-3-nitrophenyl)-2-methylphthalazin-1-one, 2-methyl-4-(3-nitro-4-(phenylamino)phenyl)phthalazin-1(2H)-one, 2-methyl-4-[3-nitro-4-(phenylamino)phenyl]phthalazin-1(2H)-one, 2-METHYL-4-[3-NITRO-4-(PHENYLAMINO)PHENYL]-1,2-DIHYDROPHTHALAZIN-1-ONE
| Molecular Formula | C21H16N4O3 |
|---|---|
| Molecular Weight | 372.12 g/mol |
| LogP | 4.2523 |
| Topological Polar Surface Area | 90.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 372.12225 |
| Heavy Atoms | 28 |
| Complexity | 1249.7183 |
Chemical Identifiers
| CAS Number | 684235-20-9 |
|---|---|
| SMILES | CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC(=C(C=C3)NC4=CC=CC=C4)[N+](=O)[O-] |
Product Overview
4-(4-Anilino-3-nitrophenyl)-2-methylphthalazin-1-one (CAS 684235-20-9), with molecular formula C21H16N4O3 and molecular weight 372.12 g/mol. IUPAC: 4-(4-anilino-3-nitrophenyl)-2-methylphthalazin-1-one.
Chemical Property Profile of 4-(4-Anilino-3-nitrophenyl)-2-methylphthalazin-1-one
Property Insights of 4-(4-Anilino-3-nitrophenyl)-2-methylphthalazin-1-one
The XLogP value of 4.2523 indicates that 4-(4-Anilino-3-nitrophenyl)-2-methylphthalazin-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Anilino-3-nitrophenyl)-2-methylphthalazin-1-one. Following Lipinski's Rule of Five, 4-(4-Anilino-3-nitrophenyl)-2-methylphthalazin-1-one has 1 hydrogen bond donor(s) and 5 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 4-(4-Anilino-3-nitrophenyl)-2-methylphthalazin-1-one?
The CAS number of 4-(4-Anilino-3-nitrophenyl)-2-methylphthalazin-1-one is 684235-20-9.
What is the molecular formula of 4-(4-Anilino-3-nitrophenyl)-2-methylphthalazin-1-one?
The molecular formula of 4-(4-Anilino-3-nitrophenyl)-2-methylphthalazin-1-one is C21H16N4O3.
What is the molecular weight of 4-(4-Anilino-3-nitrophenyl)-2-methylphthalazin-1-one?
The molecular weight of 4-(4-Anilino-3-nitrophenyl)-2-methylphthalazin-1-one is 372.12 g/mol.
Where can I buy 4-(4-Anilino-3-nitrophenyl)-2-methylphthalazin-1-one?
You can request a quote for 4-(4-Anilino-3-nitrophenyl)-2-methylphthalazin-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Anilino-3-nitrophenyl)-2-methylphthalazin-1-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Anilino-3-nitrophenyl)-2-methylphthalazin-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.