![(2E)-3-(3-nitrophenyl)-1-{2-[4-(propan-2-yl)phenyl]-2H-3,1-benzoxazin-1(4H)-yl}prop-2-en-1-one structure](/static/products/669/669746-84-3.png)
(2E)-3-(3-nitrophenyl)-1-{2-[4-(propan-2-yl)phenyl]-2H-3,1-benzoxazin-1(4H)-yl}prop-2-en-1-one
TL;DR: (2E)-3-(3-nitrophenyl)-1-{2-[4-(propan-2-yl)phenyl]-2H-3,1-benzoxazin-1(4H)-yl}prop-2-en-1-one (CAS 669746-84-3) is a chemical compound with molecular formula C26H24N2O4 and molecular weight 428.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(3-nitrophenyl)-1-[2-(4-propan-2-ylphenyl)-2,4-dihydro-3,1-benzoxazin-1-yl]prop-2-en-1-one
Also Known As: (2E)-3-(3-nitrophenyl)-1-{2-[4-(propan-2-yl)phenyl]-2H-3,1-benzoxazin-1(4H)-yl}prop-2-en-1-one, (2E)-1-{2-[4-(methylethyl)phenyl](2H,4H-benzo[d]1,3-oxazinyl)}-3-(3-nitropheny l)prop-2-en-1-one, (E)-1-(2-(4-isopropylphenyl)-2,4-dihydro-1H-benzo[d][1,3]oxazin-1-yl)-3-(3-nitrophenyl)prop-2-en-1-one, (E)-3-(3-nitrophenyl)-1-[2-(4-propan-2-ylphenyl)-2,4-dihydro-3,1-benzoxazin-1-yl]prop-2-en-1-one, 1-[2-(4-ISOPROPYLPHENYL)-2H-3,1-BENZOXAZIN-1(4H)-YL]-3-(3-NITROPHENYL)-2-PROPEN-1-ONE
| Molecular Formula | C26H24N2O4 |
|---|---|
| Molecular Weight | 428.17 g/mol |
| LogP | 5.9936 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 428.1736 |
| Heavy Atoms | 32 |
| Complexity | 1168.4542 |
Chemical Identifiers
| CAS Number | 669746-84-3 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)C2N(C3=CC=CC=C3CO2)C(=O)/C=C/C4=CC(=CC=C4)[N+](=O)[O-] |
Product Overview
(2E)-3-(3-nitrophenyl)-1-{2-[4-(propan-2-yl)phenyl]-2H-3,1-benzoxazin-1(4H)-yl}prop-2-en-1-one (CAS 669746-84-3), with molecular formula C26H24N2O4 and molecular weight 428.17 g/mol. IUPAC: (E)-3-(3-nitrophenyl)-1-[2-(4-propan-2-ylphenyl)-2,4-dihydro-3,1-benzoxazin-1-yl]prop-2-en-1-one.
Chemical Property Profile of (2E)-3-(3-nitrophenyl)-1-{2-[4-(propan-2-yl)phenyl]-2H-3,1-benzoxazin-1(4H)-yl}prop-2-en-1-one
Property Insights of (2E)-3-(3-nitrophenyl)-1-{2-[4-(propan-2-yl)phenyl]-2H-3,1-benzoxazin-1(4H)-yl}prop-2-en-1-one
The XLogP value of 5.9936 indicates that (2E)-3-(3-nitrophenyl)-1-{2-[4-(propan-2-yl)phenyl]-2H-3,1-benzoxazin-1(4H)-yl}prop-2-en-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-3-(3-nitrophenyl)-1-{2-[4-(propan-2-yl)phenyl]-2H-3,1-benzoxazin-1(4H)-yl}prop-2-en-1-one. Following Lipinski's Rule of Five, (2E)-3-(3-nitrophenyl)-1-{2-[4-(propan-2-yl)phenyl]-2H-3,1-benzoxazin-1(4H)-yl}prop-2-en-1-one has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2E)-3-(3-nitrophenyl)-1-{2-[4-(propan-2-yl)phenyl]-2H-3,1-benzoxazin-1(4H)-yl}prop-2-en-1-one?
The CAS number of (2E)-3-(3-nitrophenyl)-1-{2-[4-(propan-2-yl)phenyl]-2H-3,1-benzoxazin-1(4H)-yl}prop-2-en-1-one is 669746-84-3.
What is the molecular formula of (2E)-3-(3-nitrophenyl)-1-{2-[4-(propan-2-yl)phenyl]-2H-3,1-benzoxazin-1(4H)-yl}prop-2-en-1-one?
The molecular formula of (2E)-3-(3-nitrophenyl)-1-{2-[4-(propan-2-yl)phenyl]-2H-3,1-benzoxazin-1(4H)-yl}prop-2-en-1-one is C26H24N2O4.
What is the molecular weight of (2E)-3-(3-nitrophenyl)-1-{2-[4-(propan-2-yl)phenyl]-2H-3,1-benzoxazin-1(4H)-yl}prop-2-en-1-one?
The molecular weight of (2E)-3-(3-nitrophenyl)-1-{2-[4-(propan-2-yl)phenyl]-2H-3,1-benzoxazin-1(4H)-yl}prop-2-en-1-one is 428.17 g/mol.
Where can I buy (2E)-3-(3-nitrophenyl)-1-{2-[4-(propan-2-yl)phenyl]-2H-3,1-benzoxazin-1(4H)-yl}prop-2-en-1-one?
You can request a quote for (2E)-3-(3-nitrophenyl)-1-{2-[4-(propan-2-yl)phenyl]-2H-3,1-benzoxazin-1(4H)-yl}prop-2-en-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-3-(3-nitrophenyl)-1-{2-[4-(propan-2-yl)phenyl]-2H-3,1-benzoxazin-1(4H)-yl}prop-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-(3-nitrophenyl)-1-{2-[4-(propan-2-yl)phenyl]-2H-3,1-benzoxazin-1(4H)-yl}prop-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.