4-(4-(Butylmethylamino)-3-nitrophenyl)-2-methyl-1(2H)-phthalazinone
TL;DR: 4-(4-(Butylmethylamino)-3-nitrophenyl)-2-methyl-1(2H)-phthalazinone (CAS 575469-49-7) is a chemical compound with molecular formula C20H22N4O3 and molecular weight 366.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[butyl(methyl)amino]-3-nitrophenyl]-2-methylphthalazin-1-one
Also Known As: 4-{4-[butyl(methyl)amino]-3-nitrophenyl}-2-methylphthalazin-1(2H)-one, 4-[4-(Butylmethylamino)-3-nitrophenyl]-2-methyl-1(2H)-phthalazinone, 4-[4-[butyl(methyl)amino]-3-nitrophenyl]-2-methylphthalazin-1-one, 4-(4-(butyl(methyl)amino)-3-nitrophenyl)-2-methylphthalazin-1(2H)-one, 4-(4-(Butylmethylamino)-3-nitrophenyl)-2-methyl-1(2H)-phthalazinone
| Molecular Formula | C20H22N4O3 |
|---|---|
| Molecular Weight | 366.17 g/mol |
| LogP | 3.745 |
| Topological Polar Surface Area | 81.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 366.1692 |
| Heavy Atoms | 27 |
| Complexity | 1058.7665 |
Chemical Identifiers
| CAS Number | 575469-49-7 |
|---|---|
| SMILES | CCCCN(C)C1=C(C=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C)[N+](=O)[O-] |
Product Overview
4-(4-(Butylmethylamino)-3-nitrophenyl)-2-methyl-1(2H)-phthalazinone (CAS 575469-49-7), with molecular formula C20H22N4O3 and molecular weight 366.17 g/mol. IUPAC: 4-[4-[butyl(methyl)amino]-3-nitrophenyl]-2-methylphthalazin-1-one.
Chemical Property Profile of 4-(4-(Butylmethylamino)-3-nitrophenyl)-2-methyl-1(2H)-phthalazinone
Property Insights of 4-(4-(Butylmethylamino)-3-nitrophenyl)-2-methyl-1(2H)-phthalazinone
The XLogP value of 3.745 indicates that 4-(4-(Butylmethylamino)-3-nitrophenyl)-2-methyl-1(2H)-phthalazinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-(Butylmethylamino)-3-nitrophenyl)-2-methyl-1(2H)-phthalazinone. Following Lipinski's Rule of Five, 4-(4-(Butylmethylamino)-3-nitrophenyl)-2-methyl-1(2H)-phthalazinone has 0 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-(Butylmethylamino)-3-nitrophenyl)-2-methyl-1(2H)-phthalazinone?
The CAS number of 4-(4-(Butylmethylamino)-3-nitrophenyl)-2-methyl-1(2H)-phthalazinone is 575469-49-7.
What is the molecular formula of 4-(4-(Butylmethylamino)-3-nitrophenyl)-2-methyl-1(2H)-phthalazinone?
The molecular formula of 4-(4-(Butylmethylamino)-3-nitrophenyl)-2-methyl-1(2H)-phthalazinone is C20H22N4O3.
What is the molecular weight of 4-(4-(Butylmethylamino)-3-nitrophenyl)-2-methyl-1(2H)-phthalazinone?
The molecular weight of 4-(4-(Butylmethylamino)-3-nitrophenyl)-2-methyl-1(2H)-phthalazinone is 366.17 g/mol.
Where can I buy 4-(4-(Butylmethylamino)-3-nitrophenyl)-2-methyl-1(2H)-phthalazinone?
You can request a quote for 4-(4-(Butylmethylamino)-3-nitrophenyl)-2-methyl-1(2H)-phthalazinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-(Butylmethylamino)-3-nitrophenyl)-2-methyl-1(2H)-phthalazinone?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-(Butylmethylamino)-3-nitrophenyl)-2-methyl-1(2H)-phthalazinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.