2-Ethyl-3-(3-nitrophenyl)quinazolin-4-one
TL;DR: 2-Ethyl-3-(3-nitrophenyl)quinazolin-4-one (CAS 352659-99-5) is a chemical compound with molecular formula C16H13N3O3 and molecular weight 295.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethyl-3-(3-nitrophenyl)quinazolin-4-one
Also Known As: 2-ethyl-3-(3-nitrophenyl)quinazolin-4-one, 2-ethyl-3-{3-nitrophenyl}-4(3H)-quinazolinone, 2-ethyl-3-(3-nitrophenyl)quinazolin-4(3H)-one, BIM-0021773.P001, AJ-292/14693016
| Molecular Formula | C16H13N3O3 |
|---|---|
| Molecular Weight | 295.10 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 78.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 295.0957 |
| Heavy Atoms | 22 |
| Complexity | 486.0 |
Chemical Identifiers
| CAS Number | 352659-99-5 |
|---|---|
| SMILES | CCC1=NC2=CC=CC=C2C(=O)N1C3=CC(=CC=C3)[N+](=O)[O-] |
| InChIKey | YJPOUWHTZFHEKR-UHFFFAOYSA-N |
Product Overview
2-Ethyl-3-(3-nitrophenyl)quinazolin-4-one (CAS 352659-99-5), with molecular formula C16H13N3O3 and molecular weight 295.10 g/mol. IUPAC: 2-ethyl-3-(3-nitrophenyl)quinazolin-4-one.
Chemical Property Profile of 2-Ethyl-3-(3-nitrophenyl)quinazolin-4-one
Property Insights of 2-Ethyl-3-(3-nitrophenyl)quinazolin-4-one
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethyl-3-(3-nitrophenyl)quinazolin-4-one. The TPSA of 78.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Ethyl-3-(3-nitrophenyl)quinazolin-4-one. Following Lipinski's Rule of Five, 2-Ethyl-3-(3-nitrophenyl)quinazolin-4-one 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 2-Ethyl-3-(3-nitrophenyl)quinazolin-4-one?
The CAS number of 2-Ethyl-3-(3-nitrophenyl)quinazolin-4-one is 352659-99-5.
What is the molecular formula of 2-Ethyl-3-(3-nitrophenyl)quinazolin-4-one?
The molecular formula of 2-Ethyl-3-(3-nitrophenyl)quinazolin-4-one is C16H13N3O3.
What is the molecular weight of 2-Ethyl-3-(3-nitrophenyl)quinazolin-4-one?
The molecular weight of 2-Ethyl-3-(3-nitrophenyl)quinazolin-4-one is 295.10 g/mol.
Where can I buy 2-Ethyl-3-(3-nitrophenyl)quinazolin-4-one?
You can request a quote for 2-Ethyl-3-(3-nitrophenyl)quinazolin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethyl-3-(3-nitrophenyl)quinazolin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethyl-3-(3-nitrophenyl)quinazolin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.