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Ethyl 2-[2-(2-nitroethenyl)phenoxy]acetate
TL;DR: Ethyl 2-[2-(2-nitroethenyl)phenoxy]acetate (CAS 24602-87-7) 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.
ethyl 2-[2-(2-nitroethenyl)phenoxy]acetate
Also Known As: ethyl 2-[2-(2-nitroethenyl)phenoxy]acetate, Ethyl [2-(2-nitroethenyl)phenoxy]acetate
| Molecular Formula | C12H13NO5 |
|---|---|
| Molecular Weight | 251.08 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 251.07938 |
| Heavy Atoms | 18 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 24602-87-7 |
|---|---|
| SMILES | CCOC(=O)COC1=CC=CC=C1C=C[N+](=O)[O-] |
| InChIKey | AKHFFHDDAUYJKO-UHFFFAOYSA-N |
Product Overview
Ethyl 2-[2-(2-nitroethenyl)phenoxy]acetate (CAS 24602-87-7), with molecular formula C12H13NO5 and molecular weight 251.08 g/mol. IUPAC: ethyl 2-[2-(2-nitroethenyl)phenoxy]acetate.
Chemical Property Profile of Ethyl 2-[2-(2-nitroethenyl)phenoxy]acetate
Property Insights of Ethyl 2-[2-(2-nitroethenyl)phenoxy]acetate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-[2-(2-nitroethenyl)phenoxy]acetate. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-[2-(2-nitroethenyl)phenoxy]acetate. Following Lipinski's Rule of Five, Ethyl 2-[2-(2-nitroethenyl)phenoxy]acetate 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 Ethyl 2-[2-(2-nitroethenyl)phenoxy]acetate?
The CAS number of Ethyl 2-[2-(2-nitroethenyl)phenoxy]acetate is 24602-87-7.
What is the molecular formula of Ethyl 2-[2-(2-nitroethenyl)phenoxy]acetate?
The molecular formula of Ethyl 2-[2-(2-nitroethenyl)phenoxy]acetate is C12H13NO5.
What is the molecular weight of Ethyl 2-[2-(2-nitroethenyl)phenoxy]acetate?
The molecular weight of Ethyl 2-[2-(2-nitroethenyl)phenoxy]acetate is 251.08 g/mol.
Where can I buy Ethyl 2-[2-(2-nitroethenyl)phenoxy]acetate?
You can request a quote for Ethyl 2-[2-(2-nitroethenyl)phenoxy]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-[2-(2-nitroethenyl)phenoxy]acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[2-(2-nitroethenyl)phenoxy]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.