![2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-(2-nitrophenyl)quinazolin-4(3H)-one structure](/static/products/372/372091-93-5.png)
2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-(2-nitrophenyl)quinazolin-4(3H)-one
TL;DR: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-(2-nitrophenyl)quinazolin-4(3H)-one (CAS 372091-93-5) is a chemical compound with molecular formula C23H15N3O5 and molecular weight 413.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-(2-nitrophenyl)quinazolin-4-one
Also Known As: BAS 01506995, (E)-2-(2-(benzo[d][1,3]dioxol-5-yl)vinyl)-3-(2-nitrophenyl)quinazolin-4(3H)-one, 2-(2-Benzo[1,3]dioxol-5-yl-vinyl)-3-(2-nitro-phenyl)-3H-quinazolin-4-one, 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-(2-nitrophenyl)quinazolin-4(3H)-one, 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-(2-nitrophenyl)quinazolin-4-one
| Molecular Formula | C23H15N3O5 |
|---|---|
| Molecular Weight | 413.10 g/mol |
| LogP | 4.193 |
| Topological Polar Surface Area | 96.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 413.10117 |
| Heavy Atoms | 31 |
| Complexity | 1424.6609 |
Chemical Identifiers
| CAS Number | 372091-93-5 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)/C=C/C3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5[N+](=O)[O-] |
Product Overview
2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-(2-nitrophenyl)quinazolin-4(3H)-one (CAS 372091-93-5), with molecular formula C23H15N3O5 and molecular weight 413.10 g/mol. IUPAC: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-(2-nitrophenyl)quinazolin-4-one.
Chemical Property Profile of 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-(2-nitrophenyl)quinazolin-4(3H)-one
Property Insights of 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-(2-nitrophenyl)quinazolin-4(3H)-one
The XLogP value of 4.193 indicates that 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-(2-nitrophenyl)quinazolin-4(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.49 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-(2-nitrophenyl)quinazolin-4(3H)-one. Following Lipinski's Rule of Five, 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-(2-nitrophenyl)quinazolin-4(3H)-one has 0 hydrogen bond donor(s) and 6 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-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-(2-nitrophenyl)quinazolin-4(3H)-one?
The CAS number of 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-(2-nitrophenyl)quinazolin-4(3H)-one is 372091-93-5.
What is the molecular formula of 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-(2-nitrophenyl)quinazolin-4(3H)-one?
The molecular formula of 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-(2-nitrophenyl)quinazolin-4(3H)-one is C23H15N3O5.
What is the molecular weight of 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-(2-nitrophenyl)quinazolin-4(3H)-one?
The molecular weight of 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-(2-nitrophenyl)quinazolin-4(3H)-one is 413.10 g/mol.
Where can I buy 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-(2-nitrophenyl)quinazolin-4(3H)-one?
You can request a quote for 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-(2-nitrophenyl)quinazolin-4(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-(2-nitrophenyl)quinazolin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-(2-nitrophenyl)quinazolin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.