1-Acetylvinyl p-nitrobenzoate
TL;DR: 1-Acetylvinyl p-nitrobenzoate (CAS 78209-93-5) is a chemical compound with molecular formula C11H9NO5 and molecular weight 235.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-oxobut-1-en-2-yl 4-nitrobenzoate
Also Known As: 1-acetylvinyl p-nitrobenzoate, 3-oxobut-1-en-2-yl 4-nitrobenzoate, 3-(p-nitrobenzoyloxy)-3-buten-2-one, p-Nitrobenzoic acid 1-acetylvinyl ester, 2-(4-Nitrobenzoyloxy)-1-butene-3-one
| Molecular Formula | C11H9NO5 |
|---|---|
| Molecular Weight | 235.05 g/mol |
| LogP | 1.8543 |
| Topological Polar Surface Area | 86.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 235.04807 |
| Heavy Atoms | 17 |
| Complexity | 489.0882 |
Chemical Identifiers
| CAS Number | 78209-93-5 |
|---|---|
| SMILES | CC(=O)C(=C)OC(=O)C1=CC=C(C=C1)[N+](=O)[O-] |
Product Overview
1-Acetylvinyl p-nitrobenzoate (CAS 78209-93-5), with molecular formula C11H9NO5 and molecular weight 235.05 g/mol. IUPAC: 3-oxobut-1-en-2-yl 4-nitrobenzoate.
Chemical Property Profile of 1-Acetylvinyl p-nitrobenzoate
Property Insights of 1-Acetylvinyl p-nitrobenzoate
The XLogP value of 1.8543 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Acetylvinyl p-nitrobenzoate. The TPSA of 86.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Acetylvinyl p-nitrobenzoate. Following Lipinski's Rule of Five, 1-Acetylvinyl p-nitrobenzoate 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 1-Acetylvinyl p-nitrobenzoate?
The CAS number of 1-Acetylvinyl p-nitrobenzoate is 78209-93-5.
What is the molecular formula of 1-Acetylvinyl p-nitrobenzoate?
The molecular formula of 1-Acetylvinyl p-nitrobenzoate is C11H9NO5.
What is the molecular weight of 1-Acetylvinyl p-nitrobenzoate?
The molecular weight of 1-Acetylvinyl p-nitrobenzoate is 235.05 g/mol.
Where can I buy 1-Acetylvinyl p-nitrobenzoate?
You can request a quote for 1-Acetylvinyl p-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Acetylvinyl p-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 1-Acetylvinyl p-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.