![[2-Methoxy-4-(2-nitroethenyl)phenyl] propanoate structure](/static/products/7791/77913-02-1.webp)
[2-Methoxy-4-(2-nitroethenyl)phenyl] propanoate
TL;DR: [2-Methoxy-4-(2-nitroethenyl)phenyl] propanoate (CAS 77913-02-1) is a chemical compound with molecular formula C12H13NO5 and molecular weight 251.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-methoxy-4-(2-nitroethenyl)phenyl] propanoate
Also Known As: [2-methoxy-4-(2-nitroethenyl)phenyl] propanoate, 1-[2-methoxy-4-(2-nitroethenyl)phenyl]propan-1-one
| Molecular Formula | C12H13NO5 |
|---|---|
| Molecular Weight | 251.08 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 251.07938 |
| Heavy Atoms | 18 |
| Complexity | 323.0 |
Chemical Identifiers
| CAS Number | 77913-02-1 |
|---|---|
| SMILES | CCC(=O)OC1=C(C=C(C=C1)C=C[N+](=O)[O-])OC |
| InChIKey | SEOGCGKYAARMFU-UHFFFAOYSA-N |
Product Overview
[2-Methoxy-4-(2-nitroethenyl)phenyl] propanoate (CAS 77913-02-1), with molecular formula C12H13NO5 and molecular weight 251.08 g/mol. IUPAC: [2-methoxy-4-(2-nitroethenyl)phenyl] propanoate.
Chemical Property Profile of [2-Methoxy-4-(2-nitroethenyl)phenyl] propanoate
Property Insights of [2-Methoxy-4-(2-nitroethenyl)phenyl] propanoate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-Methoxy-4-(2-nitroethenyl)phenyl] propanoate. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-Methoxy-4-(2-nitroethenyl)phenyl] propanoate. Following Lipinski's Rule of Five, [2-Methoxy-4-(2-nitroethenyl)phenyl] propanoate 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 [2-Methoxy-4-(2-nitroethenyl)phenyl] propanoate?
The CAS number of [2-Methoxy-4-(2-nitroethenyl)phenyl] propanoate is 77913-02-1.
What is the molecular formula of [2-Methoxy-4-(2-nitroethenyl)phenyl] propanoate?
The molecular formula of [2-Methoxy-4-(2-nitroethenyl)phenyl] propanoate is C12H13NO5.
What is the molecular weight of [2-Methoxy-4-(2-nitroethenyl)phenyl] propanoate?
The molecular weight of [2-Methoxy-4-(2-nitroethenyl)phenyl] propanoate is 251.08 g/mol.
Where can I buy [2-Methoxy-4-(2-nitroethenyl)phenyl] propanoate?
You can request a quote for [2-Methoxy-4-(2-nitroethenyl)phenyl] propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-Methoxy-4-(2-nitroethenyl)phenyl] propanoate?
Yes, KEHONG BIO provides custom synthesis services for [2-Methoxy-4-(2-nitroethenyl)phenyl] propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.