![2-[(E)-2-(5-bromo-2-methoxyphenyl)ethenyl]-6,7-dimethoxy-3,1-benzoxazin-4-one structure](/static/products/518/518022-68-9.png)
2-[(E)-2-(5-bromo-2-methoxyphenyl)ethenyl]-6,7-dimethoxy-3,1-benzoxazin-4-one
TL;DR: 2-[(E)-2-(5-bromo-2-methoxyphenyl)ethenyl]-6,7-dimethoxy-3,1-benzoxazin-4-one (CAS 518022-68-9) is a chemical compound with molecular formula C19H16BrNO5 and molecular weight 417.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(E)-2-(5-bromo-2-methoxyphenyl)ethenyl]-6,7-dimethoxy-3,1-benzoxazin-4-one
Also Known As: 2-[(E)-2-(5-bromo-2-methoxyphenyl)ethenyl]-6,7-dimethoxy-3,1-benzoxazin-4-one, 2-[(E)-2-(5-bromo-2-methoxyphenyl)ethenyl]-6,7-dimethoxy-4H-3,1-benzoxazin-4-one, 2-[(E)-2-(5-bromo-2-methoxyphenyl)vinyl]-6,7-dimethoxy-4H-3,1-benzoxazin-4-one
| Molecular Formula | C19H16BrNO5 |
|---|---|
| Molecular Weight | 417.02 g/mol |
| LogP | 4.1467 |
| Topological Polar Surface Area | 70.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 417.02118 |
| Heavy Atoms | 26 |
| Complexity | 1042.0143 |
Chemical Identifiers
| CAS Number | 518022-68-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)Br)/C=C/C2=NC3=CC(=C(C=C3C(=O)O2)OC)OC |
Product Overview
2-[(E)-2-(5-bromo-2-methoxyphenyl)ethenyl]-6,7-dimethoxy-3,1-benzoxazin-4-one (CAS 518022-68-9), with molecular formula C19H16BrNO5 and molecular weight 417.02 g/mol. IUPAC: 2-[(E)-2-(5-bromo-2-methoxyphenyl)ethenyl]-6,7-dimethoxy-3,1-benzoxazin-4-one.
Chemical Property Profile of 2-[(E)-2-(5-bromo-2-methoxyphenyl)ethenyl]-6,7-dimethoxy-3,1-benzoxazin-4-one
Property Insights of 2-[(E)-2-(5-bromo-2-methoxyphenyl)ethenyl]-6,7-dimethoxy-3,1-benzoxazin-4-one
The XLogP value of 4.1467 indicates that 2-[(E)-2-(5-bromo-2-methoxyphenyl)ethenyl]-6,7-dimethoxy-3,1-benzoxazin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.79 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(E)-2-(5-bromo-2-methoxyphenyl)ethenyl]-6,7-dimethoxy-3,1-benzoxazin-4-one. Following Lipinski's Rule of Five, 2-[(E)-2-(5-bromo-2-methoxyphenyl)ethenyl]-6,7-dimethoxy-3,1-benzoxazin-4-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-(5-bromo-2-methoxyphenyl)ethenyl]-6,7-dimethoxy-3,1-benzoxazin-4-one?
The CAS number of 2-[(E)-2-(5-bromo-2-methoxyphenyl)ethenyl]-6,7-dimethoxy-3,1-benzoxazin-4-one is 518022-68-9.
What is the molecular formula of 2-[(E)-2-(5-bromo-2-methoxyphenyl)ethenyl]-6,7-dimethoxy-3,1-benzoxazin-4-one?
The molecular formula of 2-[(E)-2-(5-bromo-2-methoxyphenyl)ethenyl]-6,7-dimethoxy-3,1-benzoxazin-4-one is C19H16BrNO5.
What is the molecular weight of 2-[(E)-2-(5-bromo-2-methoxyphenyl)ethenyl]-6,7-dimethoxy-3,1-benzoxazin-4-one?
The molecular weight of 2-[(E)-2-(5-bromo-2-methoxyphenyl)ethenyl]-6,7-dimethoxy-3,1-benzoxazin-4-one is 417.02 g/mol.
Where can I buy 2-[(E)-2-(5-bromo-2-methoxyphenyl)ethenyl]-6,7-dimethoxy-3,1-benzoxazin-4-one?
You can request a quote for 2-[(E)-2-(5-bromo-2-methoxyphenyl)ethenyl]-6,7-dimethoxy-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 2-[(E)-2-(5-bromo-2-methoxyphenyl)ethenyl]-6,7-dimethoxy-3,1-benzoxazin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-[(E)-2-(5-bromo-2-methoxyphenyl)ethenyl]-6,7-dimethoxy-3,1-benzoxazin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.