3-(4-nitrobenzyl)-4(3H)-quinazolinone
TL;DR: 3-(4-nitrobenzyl)-4(3H)-quinazolinone (CAS 201298-97-7) 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.
3-[(4-nitrophenyl)methyl]quinazolin-4-one
Also Known As: 3-(4-nitrobenzyl)-4(3H)-quinazolinone, 3-(4-nitro-benzyl)-3h-quinazolin-4-one, 3-[(4-nitrophenyl)methyl]quinazolin-4-one, 3-[(4-nitrophenyl)methyl]-3-hydroquinazolin-4-one, 3-[(4-nitrophenyl)methyl]-3,4-dihydroquinazolin-4-one
| Molecular Formula | C15H11N3O3 |
|---|---|
| Molecular Weight | 281.08 g/mol |
| LogP | 2.353 |
| Topological Polar Surface Area | 78.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 281.08005 |
| Heavy Atoms | 21 |
| Complexity | 869.2163 |
Chemical Identifiers
| CAS Number | 201298-97-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C=N2)CC3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
3-(4-nitrobenzyl)-4(3H)-quinazolinone (CAS 201298-97-7), with molecular formula C15H11N3O3 and molecular weight 281.08 g/mol. IUPAC: 3-[(4-nitrophenyl)methyl]quinazolin-4-one.
Chemical Property Profile of 3-(4-nitrobenzyl)-4(3H)-quinazolinone
Property Insights of 3-(4-nitrobenzyl)-4(3H)-quinazolinone
The XLogP value of 2.353 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-nitrobenzyl)-4(3H)-quinazolinone. The TPSA of 78.03 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-nitrobenzyl)-4(3H)-quinazolinone. Following Lipinski's Rule of Five, 3-(4-nitrobenzyl)-4(3H)-quinazolinone has 0 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 3-(4-nitrobenzyl)-4(3H)-quinazolinone?
The CAS number of 3-(4-nitrobenzyl)-4(3H)-quinazolinone is 201298-97-7.
What is the molecular formula of 3-(4-nitrobenzyl)-4(3H)-quinazolinone?
The molecular formula of 3-(4-nitrobenzyl)-4(3H)-quinazolinone is C15H11N3O3.
What is the molecular weight of 3-(4-nitrobenzyl)-4(3H)-quinazolinone?
The molecular weight of 3-(4-nitrobenzyl)-4(3H)-quinazolinone is 281.08 g/mol.
Where can I buy 3-(4-nitrobenzyl)-4(3H)-quinazolinone?
You can request a quote for 3-(4-nitrobenzyl)-4(3H)-quinazolinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-nitrobenzyl)-4(3H)-quinazolinone?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-nitrobenzyl)-4(3H)-quinazolinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.