![4-[4-(3-Hydroxypropylamino)-3-nitrophenyl]-2-methylphthalazin-1-one structure](/static/products/5779/577987-50-9.webp)
4-[4-(3-Hydroxypropylamino)-3-nitrophenyl]-2-methylphthalazin-1-one
TL;DR: 4-[4-(3-Hydroxypropylamino)-3-nitrophenyl]-2-methylphthalazin-1-one (CAS 577987-50-9) is a chemical compound with molecular formula C18H18N4O4 and molecular weight 354.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-(3-hydroxypropylamino)-3-nitrophenyl]-2-methylphthalazin-1-one
Also Known As: 4-[4-(3-hydroxypropylamino)-3-nitrophenyl]-2-methylphthalazin-1-one, 4-[4-(3-Hydroxy-propylamino)-3-nitro-phenyl]-2-methyl-2H-phthalazin-1-one, 4-{4-[(3-hydroxypropyl)amino]-3-nitrophenyl}-2-methylphthalazin-1(2H)-one, 2-methyl-4-[3-nitro-4-(3-oxidanylpropylamino)phenyl]phthalazin-1-one, 4-(4-((3-hydroxypropyl)amino)-3-nitrophenyl)-2-methylphthalazin-1(2H)-one
| Molecular Formula | C18H18N4O4 |
|---|---|
| Molecular Weight | 354.13 g/mol |
| LogP | 2.303 |
| Topological Polar Surface Area | 110.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 354.1328 |
| Heavy Atoms | 26 |
| Complexity | 1029.3651 |
Chemical Identifiers
| CAS Number | 577987-50-9 |
|---|---|
| SMILES | CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC(=C(C=C3)NCCCO)[N+](=O)[O-] |
Product Overview
4-[4-(3-Hydroxypropylamino)-3-nitrophenyl]-2-methylphthalazin-1-one (CAS 577987-50-9), with molecular formula C18H18N4O4 and molecular weight 354.13 g/mol. IUPAC: 4-[4-(3-hydroxypropylamino)-3-nitrophenyl]-2-methylphthalazin-1-one.
Chemical Property Profile of 4-[4-(3-Hydroxypropylamino)-3-nitrophenyl]-2-methylphthalazin-1-one
Property Insights of 4-[4-(3-Hydroxypropylamino)-3-nitrophenyl]-2-methylphthalazin-1-one
The XLogP value of 2.303 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[4-(3-Hydroxypropylamino)-3-nitrophenyl]-2-methylphthalazin-1-one. The TPSA of 110.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[4-(3-Hydroxypropylamino)-3-nitrophenyl]-2-methylphthalazin-1-one. Following Lipinski's Rule of Five, 4-[4-(3-Hydroxypropylamino)-3-nitrophenyl]-2-methylphthalazin-1-one has 2 hydrogen bond donor(s) and 6 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-(3-Hydroxypropylamino)-3-nitrophenyl]-2-methylphthalazin-1-one?
The CAS number of 4-[4-(3-Hydroxypropylamino)-3-nitrophenyl]-2-methylphthalazin-1-one is 577987-50-9.
What is the molecular formula of 4-[4-(3-Hydroxypropylamino)-3-nitrophenyl]-2-methylphthalazin-1-one?
The molecular formula of 4-[4-(3-Hydroxypropylamino)-3-nitrophenyl]-2-methylphthalazin-1-one is C18H18N4O4.
What is the molecular weight of 4-[4-(3-Hydroxypropylamino)-3-nitrophenyl]-2-methylphthalazin-1-one?
The molecular weight of 4-[4-(3-Hydroxypropylamino)-3-nitrophenyl]-2-methylphthalazin-1-one is 354.13 g/mol.
Where can I buy 4-[4-(3-Hydroxypropylamino)-3-nitrophenyl]-2-methylphthalazin-1-one?
You can request a quote for 4-[4-(3-Hydroxypropylamino)-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-(3-Hydroxypropylamino)-3-nitrophenyl]-2-methylphthalazin-1-one?
Yes, KEHONG BIO provides custom synthesis services for 4-[4-(3-Hydroxypropylamino)-3-nitrophenyl]-2-methylphthalazin-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.