![6,7-dimethoxy-2-[(E)-2-(3-nitrophenyl)ethenyl]-4H-3,1-benzoxazin-4-one structure](/static/products/681/681840-98-2.png)
6,7-dimethoxy-2-[(E)-2-(3-nitrophenyl)ethenyl]-4H-3,1-benzoxazin-4-one
TL;DR: 6,7-dimethoxy-2-[(E)-2-(3-nitrophenyl)ethenyl]-4H-3,1-benzoxazin-4-one (CAS 681840-98-2) is a chemical compound with molecular formula C18H14N2O6 and molecular weight 354.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,7-dimethoxy-2-[(E)-2-(3-nitrophenyl)ethenyl]-3,1-benzoxazin-4-one
Also Known As: A2897/0122014, (E)-6,7-dimethoxy-2-(3-nitrostyryl)-4H-benzo[d][1,3]oxazin-4-one, 6,7-dimethoxy-2-[(E)-2-(3-nitrophenyl)ethenyl]-3,1-benzoxazin-4-one, 6,7-dimethoxy-2-[(E)-2-(3-nitrophenyl)ethenyl]-4H-3,1-benzoxazin-4-one, 6,7-DIMETHOXY-2-[(1E)-2-(3-NITROPHENYL)ETHENYL]-4H-3,1-BENZOXAZIN-4-ONE
| Molecular Formula | C18H14N2O6 |
|---|---|
| Molecular Weight | 354.09 g/mol |
| LogP | 3.2838 |
| Topological Polar Surface Area | 104.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 354.08517 |
| Heavy Atoms | 26 |
| Complexity | 1070.9546 |
Chemical Identifiers
| CAS Number | 681840-98-2 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C(=O)OC(=N2)/C=C/C3=CC(=CC=C3)[N+](=O)[O-])OC |
Product Overview
6,7-dimethoxy-2-[(E)-2-(3-nitrophenyl)ethenyl]-4H-3,1-benzoxazin-4-one (CAS 681840-98-2), with molecular formula C18H14N2O6 and molecular weight 354.09 g/mol. IUPAC: 6,7-dimethoxy-2-[(E)-2-(3-nitrophenyl)ethenyl]-3,1-benzoxazin-4-one.
Chemical Property Profile of 6,7-dimethoxy-2-[(E)-2-(3-nitrophenyl)ethenyl]-4H-3,1-benzoxazin-4-one
Property Insights of 6,7-dimethoxy-2-[(E)-2-(3-nitrophenyl)ethenyl]-4H-3,1-benzoxazin-4-one
The XLogP value of 3.2838 indicates that 6,7-dimethoxy-2-[(E)-2-(3-nitrophenyl)ethenyl]-4H-3,1-benzoxazin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 6,7-dimethoxy-2-[(E)-2-(3-nitrophenyl)ethenyl]-4H-3,1-benzoxazin-4-one. Following Lipinski's Rule of Five, 6,7-dimethoxy-2-[(E)-2-(3-nitrophenyl)ethenyl]-4H-3,1-benzoxazin-4-one has 0 hydrogen bond donor(s) and 7 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 6,7-dimethoxy-2-[(E)-2-(3-nitrophenyl)ethenyl]-4H-3,1-benzoxazin-4-one?
The CAS number of 6,7-dimethoxy-2-[(E)-2-(3-nitrophenyl)ethenyl]-4H-3,1-benzoxazin-4-one is 681840-98-2.
What is the molecular formula of 6,7-dimethoxy-2-[(E)-2-(3-nitrophenyl)ethenyl]-4H-3,1-benzoxazin-4-one?
The molecular formula of 6,7-dimethoxy-2-[(E)-2-(3-nitrophenyl)ethenyl]-4H-3,1-benzoxazin-4-one is C18H14N2O6.
What is the molecular weight of 6,7-dimethoxy-2-[(E)-2-(3-nitrophenyl)ethenyl]-4H-3,1-benzoxazin-4-one?
The molecular weight of 6,7-dimethoxy-2-[(E)-2-(3-nitrophenyl)ethenyl]-4H-3,1-benzoxazin-4-one is 354.09 g/mol.
Where can I buy 6,7-dimethoxy-2-[(E)-2-(3-nitrophenyl)ethenyl]-4H-3,1-benzoxazin-4-one?
You can request a quote for 6,7-dimethoxy-2-[(E)-2-(3-nitrophenyl)ethenyl]-4H-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 6,7-dimethoxy-2-[(E)-2-(3-nitrophenyl)ethenyl]-4H-3,1-benzoxazin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 6,7-dimethoxy-2-[(E)-2-(3-nitrophenyl)ethenyl]-4H-3,1-benzoxazin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.