4-Acetoxy-3-methoxy-omega-nitrostyrene
TL;DR: 4-Acetoxy-3-methoxy-omega-nitrostyrene (CAS 22568-52-1) is a chemical compound with molecular formula C11H11NO5 and molecular weight 237.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-methoxy-4-[(E)-2-nitroethenyl]phenyl] acetate
Also Known As: beta-Nitro-3-methoxy-4-acetoxystyrene, 4-Acetoxy-3-methoxy-omega-nitrostyrene, [2-methoxy-4-[(E)-2-nitroethenyl]phenyl] acetate, 4-acetoxy-3-methoxy-beta-nitro-styrene, BIM-0025764.P001
| Molecular Formula | C11H11NO5 |
|---|---|
| Molecular Weight | 237.06 g/mol |
| LogP | 1.8679 |
| Topological Polar Surface Area | 78.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 237.06372 |
| Heavy Atoms | 17 |
| Complexity | 466.92963 |
Chemical Identifiers
| CAS Number | 22568-52-1 |
|---|---|
| SMILES | CC(=O)OC1=C(C=C(C=C1)/C=C/[N+](=O)[O-])OC |
Product Overview
4-Acetoxy-3-methoxy-omega-nitrostyrene (CAS 22568-52-1), with molecular formula C11H11NO5 and molecular weight 237.06 g/mol. IUPAC: [2-methoxy-4-[(E)-2-nitroethenyl]phenyl] acetate.
Chemical Property Profile of 4-Acetoxy-3-methoxy-omega-nitrostyrene
Property Insights of 4-Acetoxy-3-methoxy-omega-nitrostyrene
The XLogP value of 1.8679 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Acetoxy-3-methoxy-omega-nitrostyrene. The TPSA of 78.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Acetoxy-3-methoxy-omega-nitrostyrene. Following Lipinski's Rule of Five, 4-Acetoxy-3-methoxy-omega-nitrostyrene 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 4-Acetoxy-3-methoxy-omega-nitrostyrene?
The CAS number of 4-Acetoxy-3-methoxy-omega-nitrostyrene is 22568-52-1.
What is the molecular formula of 4-Acetoxy-3-methoxy-omega-nitrostyrene?
The molecular formula of 4-Acetoxy-3-methoxy-omega-nitrostyrene is C11H11NO5.
What is the molecular weight of 4-Acetoxy-3-methoxy-omega-nitrostyrene?
The molecular weight of 4-Acetoxy-3-methoxy-omega-nitrostyrene is 237.06 g/mol.
Where can I buy 4-Acetoxy-3-methoxy-omega-nitrostyrene?
You can request a quote for 4-Acetoxy-3-methoxy-omega-nitrostyrene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Acetoxy-3-methoxy-omega-nitrostyrene?
Yes, KEHONG BIO provides custom synthesis services for 4-Acetoxy-3-methoxy-omega-nitrostyrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.