2-Methoxyethyl 2-cyano-3-(2-nitrophenyl)prop-2-enoate
TL;DR: 2-Methoxyethyl 2-cyano-3-(2-nitrophenyl)prop-2-enoate (CAS 893755-58-3) is a chemical compound with molecular formula C13H12N2O5 and molecular weight 276.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxyethyl 2-cyano-3-(2-nitrophenyl)prop-2-enoate
Also Known As: 2-Methoxyethyl 2-cyano-3-(2-nitrophenyl)-2-propenoate, 2-methoxyethyl 2-cyano-3-(2-nitrophenyl)prop-2-enoate
| Molecular Formula | C13H12N2O5 |
|---|---|
| Molecular Weight | 276.07 g/mol |
| LogP | 1.69138 |
| Topological Polar Surface Area | 102.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 276.07462 |
| Heavy Atoms | 20 |
| Complexity | 574.3694 |
Chemical Identifiers
| CAS Number | 893755-58-3 |
|---|---|
| SMILES | COCCOC(=O)C(=CC1=CC=CC=C1[N+](=O)[O-])C#N |
Product Overview
2-Methoxyethyl 2-cyano-3-(2-nitrophenyl)prop-2-enoate (CAS 893755-58-3), with molecular formula C13H12N2O5 and molecular weight 276.07 g/mol. IUPAC: 2-methoxyethyl 2-cyano-3-(2-nitrophenyl)prop-2-enoate.
Chemical Property Profile of 2-Methoxyethyl 2-cyano-3-(2-nitrophenyl)prop-2-enoate
Property Insights of 2-Methoxyethyl 2-cyano-3-(2-nitrophenyl)prop-2-enoate
The XLogP value of 1.69138 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methoxyethyl 2-cyano-3-(2-nitrophenyl)prop-2-enoate. The TPSA of 102.46 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methoxyethyl 2-cyano-3-(2-nitrophenyl)prop-2-enoate. Following Lipinski's Rule of Five, 2-Methoxyethyl 2-cyano-3-(2-nitrophenyl)prop-2-enoate has 0 hydrogen bond donor(s) and 6 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-Methoxyethyl 2-cyano-3-(2-nitrophenyl)prop-2-enoate?
The CAS number of 2-Methoxyethyl 2-cyano-3-(2-nitrophenyl)prop-2-enoate is 893755-58-3.
What is the molecular formula of 2-Methoxyethyl 2-cyano-3-(2-nitrophenyl)prop-2-enoate?
The molecular formula of 2-Methoxyethyl 2-cyano-3-(2-nitrophenyl)prop-2-enoate is C13H12N2O5.
What is the molecular weight of 2-Methoxyethyl 2-cyano-3-(2-nitrophenyl)prop-2-enoate?
The molecular weight of 2-Methoxyethyl 2-cyano-3-(2-nitrophenyl)prop-2-enoate is 276.07 g/mol.
Where can I buy 2-Methoxyethyl 2-cyano-3-(2-nitrophenyl)prop-2-enoate?
You can request a quote for 2-Methoxyethyl 2-cyano-3-(2-nitrophenyl)prop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methoxyethyl 2-cyano-3-(2-nitrophenyl)prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methoxyethyl 2-cyano-3-(2-nitrophenyl)prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.