3-(2-Nitrophenyl)-2-(4-((phenylmethylene)amino)phenyl)-4(3H)-quinazolinone
TL;DR: 3-(2-Nitrophenyl)-2-(4-((phenylmethylene)amino)phenyl)-4(3H)-quinazolinone (CAS 83408-48-4) is a chemical compound with molecular formula C27H18N4O3 and molecular weight 446.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(benzylideneamino)phenyl]-3-(2-nitrophenyl)quinazolin-4-one
Also Known As: 3-(2-Nitrophenyl)-2-(4-((phenylmethylene)amino)phenyl)-4(3H)-quinazolinone, 4(3H)-Quinazolinone, 3-(2-nitrophenyl)-2-(4-((phenylmethylene)amino)phenyl)-, 2-[4-(benzylideneamino)phenyl]-3-(2-nitrophenyl)quinazolin-4-one, BRN 4592404
| Molecular Formula | C27H18N4O3 |
|---|---|
| Molecular Weight | 446.14 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 90.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 446.13788 |
| Heavy Atoms | 34 |
| Complexity | 792.0 |
Chemical Identifiers
| CAS Number | 83408-48-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C=NC2=CC=C(C=C2)C3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5[N+](=O)[O-] |
| InChIKey | SCBBERKYPGWIQS-UHFFFAOYSA-N |
Product Overview
3-(2-Nitrophenyl)-2-(4-((phenylmethylene)amino)phenyl)-4(3H)-quinazolinone (CAS 83408-48-4), with molecular formula C27H18N4O3 and molecular weight 446.14 g/mol. IUPAC: 2-[4-(benzylideneamino)phenyl]-3-(2-nitrophenyl)quinazolin-4-one.
Chemical Property Profile of 3-(2-Nitrophenyl)-2-(4-((phenylmethylene)amino)phenyl)-4(3H)-quinazolinone
Property Insights of 3-(2-Nitrophenyl)-2-(4-((phenylmethylene)amino)phenyl)-4(3H)-quinazolinone
The XLogP value of 5.2 indicates that 3-(2-Nitrophenyl)-2-(4-((phenylmethylene)amino)phenyl)-4(3H)-quinazolinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-Nitrophenyl)-2-(4-((phenylmethylene)amino)phenyl)-4(3H)-quinazolinone. Following Lipinski's Rule of Five, 3-(2-Nitrophenyl)-2-(4-((phenylmethylene)amino)phenyl)-4(3H)-quinazolinone has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(2-Nitrophenyl)-2-(4-((phenylmethylene)amino)phenyl)-4(3H)-quinazolinone?
The CAS number of 3-(2-Nitrophenyl)-2-(4-((phenylmethylene)amino)phenyl)-4(3H)-quinazolinone is 83408-48-4.
What is the molecular formula of 3-(2-Nitrophenyl)-2-(4-((phenylmethylene)amino)phenyl)-4(3H)-quinazolinone?
The molecular formula of 3-(2-Nitrophenyl)-2-(4-((phenylmethylene)amino)phenyl)-4(3H)-quinazolinone is C27H18N4O3.
What is the molecular weight of 3-(2-Nitrophenyl)-2-(4-((phenylmethylene)amino)phenyl)-4(3H)-quinazolinone?
The molecular weight of 3-(2-Nitrophenyl)-2-(4-((phenylmethylene)amino)phenyl)-4(3H)-quinazolinone is 446.14 g/mol.
Where can I buy 3-(2-Nitrophenyl)-2-(4-((phenylmethylene)amino)phenyl)-4(3H)-quinazolinone?
You can request a quote for 3-(2-Nitrophenyl)-2-(4-((phenylmethylene)amino)phenyl)-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-Nitrophenyl)-2-(4-((phenylmethylene)amino)phenyl)-4(3H)-quinazolinone?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Nitrophenyl)-2-(4-((phenylmethylene)amino)phenyl)-4(3H)-quinazolinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.