![2-[2-(4-formylphenyl)vinyl]-4-oxo-4H-3,1-benzoxazin-6-yl acetate structure](/static/products/3317/331736-96-0.webp)
2-[2-(4-formylphenyl)vinyl]-4-oxo-4H-3,1-benzoxazin-6-yl acetate
TL;DR: 2-[2-(4-formylphenyl)vinyl]-4-oxo-4H-3,1-benzoxazin-6-yl acetate (CAS 331736-96-0) is a chemical compound with molecular formula C19H13NO5 and molecular weight 335.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(E)-2-(4-formylphenyl)ethenyl]-4-oxo-3,1-benzoxazin-6-yl] acetate
Also Known As: BAS 00521144, 2-[2-(4-formylphenyl)vinyl]-4-oxo-4H-3,1-benzoxazin-6-yl acetate, [2-[(E)-2-(4-formylphenyl)ethenyl]-4-oxo-3,1-benzoxazin-6-yl] acetate, Acetic acid 2-[2-(4-formyl-phenyl)-vinyl]-4-oxo-4H-benzo[d][1,3]oxazin-6-yl ester, (E)-2-(4-formylstyryl)-4-oxo-4H-benzo[d][1,3]oxazin-6-yl acetate
| Molecular Formula | C19H13NO5 |
|---|---|
| Molecular Weight | 335.08 g/mol |
| LogP | 3.0962 |
| Topological Polar Surface Area | 86.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 335.07938 |
| Heavy Atoms | 25 |
| Complexity | 1031.859 |
Chemical Identifiers
| CAS Number | 331736-96-0 |
|---|---|
| SMILES | CC(=O)OC1=CC2=C(C=C1)N=C(OC2=O)/C=C/C3=CC=C(C=C3)C=O |
Product Overview
2-[2-(4-formylphenyl)vinyl]-4-oxo-4H-3,1-benzoxazin-6-yl acetate (CAS 331736-96-0), with molecular formula C19H13NO5 and molecular weight 335.08 g/mol. IUPAC: [2-[(E)-2-(4-formylphenyl)ethenyl]-4-oxo-3,1-benzoxazin-6-yl] acetate.
Chemical Property Profile of 2-[2-(4-formylphenyl)vinyl]-4-oxo-4H-3,1-benzoxazin-6-yl acetate
Property Insights of 2-[2-(4-formylphenyl)vinyl]-4-oxo-4H-3,1-benzoxazin-6-yl acetate
The XLogP value of 3.0962 indicates that 2-[2-(4-formylphenyl)vinyl]-4-oxo-4H-3,1-benzoxazin-6-yl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[2-(4-formylphenyl)vinyl]-4-oxo-4H-3,1-benzoxazin-6-yl acetate. Following Lipinski's Rule of Five, 2-[2-(4-formylphenyl)vinyl]-4-oxo-4H-3,1-benzoxazin-6-yl acetate 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-[2-(4-formylphenyl)vinyl]-4-oxo-4H-3,1-benzoxazin-6-yl acetate?
The CAS number of 2-[2-(4-formylphenyl)vinyl]-4-oxo-4H-3,1-benzoxazin-6-yl acetate is 331736-96-0.
What is the molecular formula of 2-[2-(4-formylphenyl)vinyl]-4-oxo-4H-3,1-benzoxazin-6-yl acetate?
The molecular formula of 2-[2-(4-formylphenyl)vinyl]-4-oxo-4H-3,1-benzoxazin-6-yl acetate is C19H13NO5.
What is the molecular weight of 2-[2-(4-formylphenyl)vinyl]-4-oxo-4H-3,1-benzoxazin-6-yl acetate?
The molecular weight of 2-[2-(4-formylphenyl)vinyl]-4-oxo-4H-3,1-benzoxazin-6-yl acetate is 335.08 g/mol.
Where can I buy 2-[2-(4-formylphenyl)vinyl]-4-oxo-4H-3,1-benzoxazin-6-yl acetate?
You can request a quote for 2-[2-(4-formylphenyl)vinyl]-4-oxo-4H-3,1-benzoxazin-6-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[2-(4-formylphenyl)vinyl]-4-oxo-4H-3,1-benzoxazin-6-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-[2-(4-formylphenyl)vinyl]-4-oxo-4H-3,1-benzoxazin-6-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.