4-(4-nitrobenzyl)phthalazin-1(2H)-one
TL;DR: 4-(4-nitrobenzyl)phthalazin-1(2H)-one (CAS 62970-28-9) is a chemical compound with molecular formula C15H11N3O3 and molecular weight 281.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-nitrophenyl)methyl]-2H-phthalazin-1-one
Also Known As: 4-(4-nitrobenzyl)phthalazin-1(2H)-one, 4-(4-nitrobenzyl)phthalazin-1-ol, 4-[(4-nitrophenyl)methyl]-2H-phthalazin-1-one, 4-[(4-Nitrophenyl)methyl]phthalazin-1(2H)-one, 1(2H)-Phthalazinone, 4-[(4-nitrophenyl)methyl]-
| Molecular Formula | C15H11N3O3 |
|---|---|
| Molecular Weight | 281.08 g/mol |
| LogP | 2.4221 |
| Topological Polar Surface Area | 88.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 281.08005 |
| Heavy Atoms | 21 |
| Complexity | 869.2163 |
Chemical Identifiers
| CAS Number | 62970-28-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=NNC2=O)CC3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
4-(4-nitrobenzyl)phthalazin-1(2H)-one (CAS 62970-28-9), with molecular formula C15H11N3O3 and molecular weight 281.08 g/mol. IUPAC: 4-[(4-nitrophenyl)methyl]-2H-phthalazin-1-one.
Chemical Property Profile of 4-(4-nitrobenzyl)phthalazin-1(2H)-one
Property Insights of 4-(4-nitrobenzyl)phthalazin-1(2H)-one
The XLogP value of 2.4221 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-nitrobenzyl)phthalazin-1(2H)-one. The TPSA of 88.89 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-nitrobenzyl)phthalazin-1(2H)-one. Following Lipinski's Rule of Five, 4-(4-nitrobenzyl)phthalazin-1(2H)-one has 1 hydrogen bond donor(s) and 4 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-nitrobenzyl)phthalazin-1(2H)-one?
The CAS number of 4-(4-nitrobenzyl)phthalazin-1(2H)-one is 62970-28-9.
What is the molecular formula of 4-(4-nitrobenzyl)phthalazin-1(2H)-one?
The molecular formula of 4-(4-nitrobenzyl)phthalazin-1(2H)-one is C15H11N3O3.
What is the molecular weight of 4-(4-nitrobenzyl)phthalazin-1(2H)-one?
The molecular weight of 4-(4-nitrobenzyl)phthalazin-1(2H)-one is 281.08 g/mol.
Where can I buy 4-(4-nitrobenzyl)phthalazin-1(2H)-one?
You can request a quote for 4-(4-nitrobenzyl)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-nitrobenzyl)phthalazin-1(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-nitrobenzyl)phthalazin-1(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.