1-{3-nitrophenyl}-4(1H)-quinazolinone
TL;DR: 1-{3-nitrophenyl}-4(1H)-quinazolinone (CAS 64843-98-7) is a chemical compound with molecular formula C14H9N3O3 and molecular weight 267.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-nitrophenyl)quinazolin-4-one
Also Known As: 1-(3-nitrophenyl)quinazolin-4-one, 1-{3-nitrophenyl}-4(1H)-quinazolinone, AJ-333/13050090
| Molecular Formula | C14H9N3O3 |
|---|---|
| Molecular Weight | 267.06 g/mol |
| LogP | 2.2939 |
| Topological Polar Surface Area | 78.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 267.0644 |
| Heavy Atoms | 20 |
| Complexity | 870.6672 |
Chemical Identifiers
| CAS Number | 64843-98-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N=CN2C3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
1-{3-nitrophenyl}-4(1H)-quinazolinone (CAS 64843-98-7), with molecular formula C14H9N3O3 and molecular weight 267.06 g/mol. IUPAC: 1-(3-nitrophenyl)quinazolin-4-one.
Chemical Property Profile of 1-{3-nitrophenyl}-4(1H)-quinazolinone
Property Insights of 1-{3-nitrophenyl}-4(1H)-quinazolinone
The XLogP value of 2.2939 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-{3-nitrophenyl}-4(1H)-quinazolinone. The TPSA of 78.03 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-{3-nitrophenyl}-4(1H)-quinazolinone. Following Lipinski's Rule of Five, 1-{3-nitrophenyl}-4(1H)-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 1-{3-nitrophenyl}-4(1H)-quinazolinone?
The CAS number of 1-{3-nitrophenyl}-4(1H)-quinazolinone is 64843-98-7.
What is the molecular formula of 1-{3-nitrophenyl}-4(1H)-quinazolinone?
The molecular formula of 1-{3-nitrophenyl}-4(1H)-quinazolinone is C14H9N3O3.
What is the molecular weight of 1-{3-nitrophenyl}-4(1H)-quinazolinone?
The molecular weight of 1-{3-nitrophenyl}-4(1H)-quinazolinone is 267.06 g/mol.
Where can I buy 1-{3-nitrophenyl}-4(1H)-quinazolinone?
You can request a quote for 1-{3-nitrophenyl}-4(1H)-quinazolinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-{3-nitrophenyl}-4(1H)-quinazolinone?
Yes, KEHONG BIO provides custom synthesis services for 1-{3-nitrophenyl}-4(1H)-quinazolinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.