![4-[(1E)-2-(2-benzoxazol-2-ylthioacetylamino)-2-azavinyl]-2,6-dimethoxyphenyl a cetate structure](/static/products/487/487034-11-7.png)
4-[(1E)-2-(2-benzoxazol-2-ylthioacetylamino)-2-azavinyl]-2,6-dimethoxyphenyl a cetate
TL;DR: 4-[(1E)-2-(2-benzoxazol-2-ylthioacetylamino)-2-azavinyl]-2,6-dimethoxyphenyl a cetate (CAS 487034-11-7) is a chemical compound with molecular formula C20H19N3O6S and molecular weight 429.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(E)-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]hydrazinylidene]methyl]-2,6-dimethoxyphenyl] acetate
Also Known As: 4-[(1E)-2-(2-benzoxazol-2-ylthioacetylamino)-2-azavinyl]-2,6-dimethoxyphenyl a cetate, (E)-4-((2-(2-(benzo[d]oxazol-2-ylthio)acetyl)hydrazono)methyl)-2,6-dimethoxyphenyl acetate, [4-[(E)-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]hydrazinylidene]methyl]-2,6-dimethoxyphenyl] acetate, 4-[(E)-{2-[(1,3-benzoxazol-2-ylsulfanyl)acetyl]hydrazinylidene}methyl]-2,6-dimethoxyphenyl acetate
| Molecular Formula | C20H19N3O6S |
|---|---|
| Molecular Weight | 429.10 g/mol |
| LogP | 3.0127 |
| Topological Polar Surface Area | 112.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 429.09946 |
| Heavy Atoms | 30 |
| Complexity | 1037.0853 |
Chemical Identifiers
| CAS Number | 487034-11-7 |
|---|---|
| SMILES | CC(=O)OC1=C(C=C(C=C1OC)/C=N/NC(=O)CSC2=NC3=CC=CC=C3O2)OC |
Product Overview
4-[(1E)-2-(2-benzoxazol-2-ylthioacetylamino)-2-azavinyl]-2,6-dimethoxyphenyl a cetate (CAS 487034-11-7), with molecular formula C20H19N3O6S and molecular weight 429.10 g/mol. IUPAC: [4-[(E)-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]hydrazinylidene]methyl]-2,6-dimethoxyphenyl] acetate.
Chemical Property Profile of 4-[(1E)-2-(2-benzoxazol-2-ylthioacetylamino)-2-azavinyl]-2,6-dimethoxyphenyl a cetate
Property Insights of 4-[(1E)-2-(2-benzoxazol-2-ylthioacetylamino)-2-azavinyl]-2,6-dimethoxyphenyl a cetate
The XLogP value of 3.0127 indicates that 4-[(1E)-2-(2-benzoxazol-2-ylthioacetylamino)-2-azavinyl]-2,6-dimethoxyphenyl a cetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.25 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(1E)-2-(2-benzoxazol-2-ylthioacetylamino)-2-azavinyl]-2,6-dimethoxyphenyl a cetate. Following Lipinski's Rule of Five, 4-[(1E)-2-(2-benzoxazol-2-ylthioacetylamino)-2-azavinyl]-2,6-dimethoxyphenyl a cetate has 1 hydrogen bond donor(s) and 9 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 4-[(1E)-2-(2-benzoxazol-2-ylthioacetylamino)-2-azavinyl]-2,6-dimethoxyphenyl a cetate?
The CAS number of 4-[(1E)-2-(2-benzoxazol-2-ylthioacetylamino)-2-azavinyl]-2,6-dimethoxyphenyl a cetate is 487034-11-7.
What is the molecular formula of 4-[(1E)-2-(2-benzoxazol-2-ylthioacetylamino)-2-azavinyl]-2,6-dimethoxyphenyl a cetate?
The molecular formula of 4-[(1E)-2-(2-benzoxazol-2-ylthioacetylamino)-2-azavinyl]-2,6-dimethoxyphenyl a cetate is C20H19N3O6S.
What is the molecular weight of 4-[(1E)-2-(2-benzoxazol-2-ylthioacetylamino)-2-azavinyl]-2,6-dimethoxyphenyl a cetate?
The molecular weight of 4-[(1E)-2-(2-benzoxazol-2-ylthioacetylamino)-2-azavinyl]-2,6-dimethoxyphenyl a cetate is 429.10 g/mol.
Where can I buy 4-[(1E)-2-(2-benzoxazol-2-ylthioacetylamino)-2-azavinyl]-2,6-dimethoxyphenyl a cetate?
You can request a quote for 4-[(1E)-2-(2-benzoxazol-2-ylthioacetylamino)-2-azavinyl]-2,6-dimethoxyphenyl a cetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(1E)-2-(2-benzoxazol-2-ylthioacetylamino)-2-azavinyl]-2,6-dimethoxyphenyl a cetate?
Yes, KEHONG BIO provides custom synthesis services for 4-[(1E)-2-(2-benzoxazol-2-ylthioacetylamino)-2-azavinyl]-2,6-dimethoxyphenyl a cetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.