![6-methyl-2-[(E)-2-(4-nitrophenyl)ethenyl]-3,1-benzoxazin-4-one structure](/static/products/2948/294891-99-9.webp)
6-methyl-2-[(E)-2-(4-nitrophenyl)ethenyl]-3,1-benzoxazin-4-one
TL;DR: 6-methyl-2-[(E)-2-(4-nitrophenyl)ethenyl]-3,1-benzoxazin-4-one (CAS 294891-99-9) is a chemical compound with molecular formula C17H12N2O4 and molecular weight 308.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-2-[(E)-2-(4-nitrophenyl)ethenyl]-3,1-benzoxazin-4-one
Also Known As: BAS 01520004, 6-methyl-2-[(E)-2-(4-nitrophenyl)ethenyl]-3,1-benzoxazin-4-one, 2-(2-{4-nitrophenyl}vinyl)-6-methyl-4H-3,1-benzoxazin-4-one, AN-979/13514001, (E)-6-methyl-2-(4-nitrostyryl)-4H-benzo[d][1,3]oxazin-4-one
| Molecular Formula | C17H12N2O4 |
|---|---|
| Molecular Weight | 308.08 g/mol |
| LogP | 3.57502 |
| Topological Polar Surface Area | 86.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 308.0797 |
| Heavy Atoms | 23 |
| Complexity | 972.0451 |
Chemical Identifiers
| CAS Number | 294891-99-9 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N=C(OC2=O)/C=C/C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
6-methyl-2-[(E)-2-(4-nitrophenyl)ethenyl]-3,1-benzoxazin-4-one (CAS 294891-99-9), with molecular formula C17H12N2O4 and molecular weight 308.08 g/mol. IUPAC: 6-methyl-2-[(E)-2-(4-nitrophenyl)ethenyl]-3,1-benzoxazin-4-one.
Chemical Property Profile of 6-methyl-2-[(E)-2-(4-nitrophenyl)ethenyl]-3,1-benzoxazin-4-one
Property Insights of 6-methyl-2-[(E)-2-(4-nitrophenyl)ethenyl]-3,1-benzoxazin-4-one
The XLogP value of 3.57502 indicates that 6-methyl-2-[(E)-2-(4-nitrophenyl)ethenyl]-3,1-benzoxazin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-methyl-2-[(E)-2-(4-nitrophenyl)ethenyl]-3,1-benzoxazin-4-one. Following Lipinski's Rule of Five, 6-methyl-2-[(E)-2-(4-nitrophenyl)ethenyl]-3,1-benzoxazin-4-one has 0 hydrogen bond donor(s) and 5 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 6-methyl-2-[(E)-2-(4-nitrophenyl)ethenyl]-3,1-benzoxazin-4-one?
The CAS number of 6-methyl-2-[(E)-2-(4-nitrophenyl)ethenyl]-3,1-benzoxazin-4-one is 294891-99-9.
What is the molecular formula of 6-methyl-2-[(E)-2-(4-nitrophenyl)ethenyl]-3,1-benzoxazin-4-one?
The molecular formula of 6-methyl-2-[(E)-2-(4-nitrophenyl)ethenyl]-3,1-benzoxazin-4-one is C17H12N2O4.
What is the molecular weight of 6-methyl-2-[(E)-2-(4-nitrophenyl)ethenyl]-3,1-benzoxazin-4-one?
The molecular weight of 6-methyl-2-[(E)-2-(4-nitrophenyl)ethenyl]-3,1-benzoxazin-4-one is 308.08 g/mol.
Where can I buy 6-methyl-2-[(E)-2-(4-nitrophenyl)ethenyl]-3,1-benzoxazin-4-one?
You can request a quote for 6-methyl-2-[(E)-2-(4-nitrophenyl)ethenyl]-3,1-benzoxazin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-methyl-2-[(E)-2-(4-nitrophenyl)ethenyl]-3,1-benzoxazin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 6-methyl-2-[(E)-2-(4-nitrophenyl)ethenyl]-3,1-benzoxazin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.