Acetic acid 2-methoxy-4-(2-nitro-vinyl)-phenyl ester
TL;DR: Acetic acid 2-methoxy-4-(2-nitro-vinyl)-phenyl ester (CAS 6622-95-3) 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-(2-nitroethenyl)phenyl] acetate
Also Known As: 4-acetoxy-3-methoxy-beta-nitro-styrene, 2-methoxy-4-(2-nitroethenyl)phenyl acetate, [2-methoxy-4-(2-nitroethenyl)phenyl] acetate, Phenol,2-methoxy-4-(2-nitroethenyl)-, 1-acetate, Phenol, 2-methoxy-4-(2-nitroethenyl)-, 1-acetate
| Molecular Formula | C11H11NO5 |
|---|---|
| Molecular Weight | 237.06 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 237.06372 |
| Heavy Atoms | 17 |
| Complexity | 309.0 |
Chemical Identifiers
| CAS Number | 6622-95-3 |
|---|---|
| SMILES | CC(=O)OC1=C(C=C(C=C1)C=C[N+](=O)[O-])OC |
| InChIKey | OTVNMEHTSLGKMY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acetic acid 2-methoxy-4-(2-nitro-vinyl)-phenyl ester (CAS 6622-95-3), with molecular formula C11H11NO5 and molecular weight 237.06 g/mol. IUPAC: [2-methoxy-4-(2-nitroethenyl)phenyl] acetate.
Chemical Property Profile of Acetic acid 2-methoxy-4-(2-nitro-vinyl)-phenyl ester
Property Insights of Acetic acid 2-methoxy-4-(2-nitro-vinyl)-phenyl ester
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid 2-methoxy-4-(2-nitro-vinyl)-phenyl ester. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid 2-methoxy-4-(2-nitro-vinyl)-phenyl ester. Following Lipinski's Rule of Five, Acetic acid 2-methoxy-4-(2-nitro-vinyl)-phenyl ester 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 Acetic acid 2-methoxy-4-(2-nitro-vinyl)-phenyl ester?
The CAS number of Acetic acid 2-methoxy-4-(2-nitro-vinyl)-phenyl ester is 6622-95-3.
What is the molecular formula of Acetic acid 2-methoxy-4-(2-nitro-vinyl)-phenyl ester?
The molecular formula of Acetic acid 2-methoxy-4-(2-nitro-vinyl)-phenyl ester is C11H11NO5.
What is the molecular weight of Acetic acid 2-methoxy-4-(2-nitro-vinyl)-phenyl ester?
The molecular weight of Acetic acid 2-methoxy-4-(2-nitro-vinyl)-phenyl ester is 237.06 g/mol.
Where can I buy Acetic acid 2-methoxy-4-(2-nitro-vinyl)-phenyl ester?
You can request a quote for Acetic acid 2-methoxy-4-(2-nitro-vinyl)-phenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid 2-methoxy-4-(2-nitro-vinyl)-phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid 2-methoxy-4-(2-nitro-vinyl)-phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.