4-(4-(4-benzylpiperidin-1-yl)-3-nitrophenyl)-2-methylphthalazin-1(2H)-one
TL;DR: 4-(4-(4-benzylpiperidin-1-yl)-3-nitrophenyl)-2-methylphthalazin-1(2H)-one (CAS 674329-98-7) is a chemical compound with molecular formula C27H26N4O3 and molecular weight 454.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-(4-benzylpiperidin-1-yl)-3-nitrophenyl]-2-methylphthalazin-1-one
Also Known As: 4-[4-(4-benzyl-1-piperidyl)-3-nitro-phenyl]-2-methyl-phthalazin-1-one, 4-[4-(4-benzylpiperidin-1-yl)-3-nitrophenyl]-2-methylphthalazin-1-one, 4-(4-(4-benzylpiperidin-1-yl)-3-nitrophenyl)-2-methylphthalazin-1(2H)-one, 4-[4-(4-benzylpiperidin-1-yl)-3-nitrophenyl]-2-methylphthalazin-1(2H)-one
| Molecular Formula | C27H26N4O3 |
|---|---|
| Molecular Weight | 454.20 g/mol |
| LogP | 4.9678 |
| Topological Polar Surface Area | 81.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 454.2005 |
| Heavy Atoms | 34 |
| Complexity | 1406.829 |
Chemical Identifiers
| CAS Number | 674329-98-7 |
|---|---|
| SMILES | CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC(=C(C=C3)N4CCC(CC4)CC5=CC=CC=C5)[N+](=O)[O-] |
Product Overview
4-(4-(4-benzylpiperidin-1-yl)-3-nitrophenyl)-2-methylphthalazin-1(2H)-one (CAS 674329-98-7), with molecular formula C27H26N4O3 and molecular weight 454.20 g/mol. IUPAC: 4-[4-(4-benzylpiperidin-1-yl)-3-nitrophenyl]-2-methylphthalazin-1-one.
Chemical Property Profile of 4-(4-(4-benzylpiperidin-1-yl)-3-nitrophenyl)-2-methylphthalazin-1(2H)-one
Property Insights of 4-(4-(4-benzylpiperidin-1-yl)-3-nitrophenyl)-2-methylphthalazin-1(2H)-one
The XLogP value of 4.9678 indicates that 4-(4-(4-benzylpiperidin-1-yl)-3-nitrophenyl)-2-methylphthalazin-1(2H)-one 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-(4-benzylpiperidin-1-yl)-3-nitrophenyl)-2-methylphthalazin-1(2H)-one. Following Lipinski's Rule of Five, 4-(4-(4-benzylpiperidin-1-yl)-3-nitrophenyl)-2-methylphthalazin-1(2H)-one 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-(4-benzylpiperidin-1-yl)-3-nitrophenyl)-2-methylphthalazin-1(2H)-one?
The CAS number of 4-(4-(4-benzylpiperidin-1-yl)-3-nitrophenyl)-2-methylphthalazin-1(2H)-one is 674329-98-7.
What is the molecular formula of 4-(4-(4-benzylpiperidin-1-yl)-3-nitrophenyl)-2-methylphthalazin-1(2H)-one?
The molecular formula of 4-(4-(4-benzylpiperidin-1-yl)-3-nitrophenyl)-2-methylphthalazin-1(2H)-one is C27H26N4O3.
What is the molecular weight of 4-(4-(4-benzylpiperidin-1-yl)-3-nitrophenyl)-2-methylphthalazin-1(2H)-one?
The molecular weight of 4-(4-(4-benzylpiperidin-1-yl)-3-nitrophenyl)-2-methylphthalazin-1(2H)-one is 454.20 g/mol.
Where can I buy 4-(4-(4-benzylpiperidin-1-yl)-3-nitrophenyl)-2-methylphthalazin-1(2H)-one?
You can request a quote for 4-(4-(4-benzylpiperidin-1-yl)-3-nitrophenyl)-2-methylphthalazin-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-(4-benzylpiperidin-1-yl)-3-nitrophenyl)-2-methylphthalazin-1(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-(4-benzylpiperidin-1-yl)-3-nitrophenyl)-2-methylphthalazin-1(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.