3-(2-Nitrobenzyl)-4(3H)-quinazolinone
TL;DR: 3-(2-Nitrobenzyl)-4(3H)-quinazolinone (CAS 500348-87-8) 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-[(2-nitrophenyl)methyl]quinazolin-4-one
Also Known As: 3-(2-nitrobenzyl)quinazolin-4(3h)-one, 3-(2-Nitrobenzyl)quinazoline-4(3H)-one, 3-(2-NITROBENZYL)-4(3H)-QUINAZOLINONE, 3-[(2-nitrophenyl)methyl]quinazolin-4-one, J3.407.567K
| Molecular Formula | C15H11N3O3 |
|---|---|
| Molecular Weight | 281.08 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 78.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 281.08005 |
| Heavy Atoms | 21 |
| Complexity | 446.0 |
Chemical Identifiers
| CAS Number | 500348-87-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CN2C=NC3=CC=CC=C3C2=O)[N+](=O)[O-] |
| InChIKey | ZKCLILYELAGDHJ-UHFFFAOYSA-N |
Product Overview
3-(2-Nitrobenzyl)-4(3H)-quinazolinone (CAS 500348-87-8), with molecular formula C15H11N3O3 and molecular weight 281.08 g/mol. IUPAC: 3-[(2-nitrophenyl)methyl]quinazolin-4-one.
Chemical Property Profile of 3-(2-Nitrobenzyl)-4(3H)-quinazolinone
Property Insights of 3-(2-Nitrobenzyl)-4(3H)-quinazolinone
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Nitrobenzyl)-4(3H)-quinazolinone. The TPSA of 78.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-Nitrobenzyl)-4(3H)-quinazolinone. Following Lipinski's Rule of Five, 3-(2-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-(2-Nitrobenzyl)-4(3H)-quinazolinone?
The CAS number of 3-(2-Nitrobenzyl)-4(3H)-quinazolinone is 500348-87-8.
What is the molecular formula of 3-(2-Nitrobenzyl)-4(3H)-quinazolinone?
The molecular formula of 3-(2-Nitrobenzyl)-4(3H)-quinazolinone is C15H11N3O3.
What is the molecular weight of 3-(2-Nitrobenzyl)-4(3H)-quinazolinone?
The molecular weight of 3-(2-Nitrobenzyl)-4(3H)-quinazolinone is 281.08 g/mol.
Where can I buy 3-(2-Nitrobenzyl)-4(3H)-quinazolinone?
You can request a quote for 3-(2-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-(2-Nitrobenzyl)-4(3H)-quinazolinone?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Nitrobenzyl)-4(3H)-quinazolinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.