4-(4-(cyclohexyl(methyl)amino)-3-nitrophenyl)phthalazin-1(2H)-one
TL;DR: 4-(4-(cyclohexyl(methyl)amino)-3-nitrophenyl)phthalazin-1(2H)-one (CAS 674337-79-2) is a chemical compound with molecular formula C21H22N4O3 and molecular weight 378.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[cyclohexyl(methyl)amino]-3-nitrophenyl]-2H-phthalazin-1-one
Also Known As: 4-(4-(cyclohexyl(methyl)amino)-3-nitrophenyl)phthalazin-1(2H)-one, 4-[4-[cyclohexyl(methyl)amino]-3-nitrophenyl]-2H-phthalazin-1-one, 4-{4-[cyclohexyl(methyl)amino]-3-nitrophenyl}phthalazin-1(2H)-one
| Molecular Formula | C21H22N4O3 |
|---|---|
| Molecular Weight | 378.17 g/mol |
| LogP | 4.2672 |
| Topological Polar Surface Area | 92.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 378.1692 |
| Heavy Atoms | 28 |
| Complexity | 1086.446 |
Chemical Identifiers
| CAS Number | 674337-79-2 |
|---|---|
| SMILES | CN(C1CCCCC1)C2=C(C=C(C=C2)C3=NNC(=O)C4=CC=CC=C43)[N+](=O)[O-] |
Product Overview
4-(4-(cyclohexyl(methyl)amino)-3-nitrophenyl)phthalazin-1(2H)-one (CAS 674337-79-2), with molecular formula C21H22N4O3 and molecular weight 378.17 g/mol. IUPAC: 4-[4-[cyclohexyl(methyl)amino]-3-nitrophenyl]-2H-phthalazin-1-one.
Chemical Property Profile of 4-(4-(cyclohexyl(methyl)amino)-3-nitrophenyl)phthalazin-1(2H)-one
Property Insights of 4-(4-(cyclohexyl(methyl)amino)-3-nitrophenyl)phthalazin-1(2H)-one
The XLogP value of 4.2672 indicates that 4-(4-(cyclohexyl(methyl)amino)-3-nitrophenyl)phthalazin-1(2H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-(cyclohexyl(methyl)amino)-3-nitrophenyl)phthalazin-1(2H)-one. Following Lipinski's Rule of Five, 4-(4-(cyclohexyl(methyl)amino)-3-nitrophenyl)phthalazin-1(2H)-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-(cyclohexyl(methyl)amino)-3-nitrophenyl)phthalazin-1(2H)-one?
The CAS number of 4-(4-(cyclohexyl(methyl)amino)-3-nitrophenyl)phthalazin-1(2H)-one is 674337-79-2.
What is the molecular formula of 4-(4-(cyclohexyl(methyl)amino)-3-nitrophenyl)phthalazin-1(2H)-one?
The molecular formula of 4-(4-(cyclohexyl(methyl)amino)-3-nitrophenyl)phthalazin-1(2H)-one is C21H22N4O3.
What is the molecular weight of 4-(4-(cyclohexyl(methyl)amino)-3-nitrophenyl)phthalazin-1(2H)-one?
The molecular weight of 4-(4-(cyclohexyl(methyl)amino)-3-nitrophenyl)phthalazin-1(2H)-one is 378.17 g/mol.
Where can I buy 4-(4-(cyclohexyl(methyl)amino)-3-nitrophenyl)phthalazin-1(2H)-one?
You can request a quote for 4-(4-(cyclohexyl(methyl)amino)-3-nitrophenyl)phthalazin-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 4-(4-(cyclohexyl(methyl)amino)-3-nitrophenyl)phthalazin-1(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-(cyclohexyl(methyl)amino)-3-nitrophenyl)phthalazin-1(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.