ethyl (2E)-2-cyano-3-(2-nitrophenyl)prop-2-enoate
TL;DR: ethyl (2E)-2-cyano-3-(2-nitrophenyl)prop-2-enoate (CAS 68792-18-7) is a chemical compound with molecular formula C12H10N2O4 and molecular weight 246.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-2-cyano-3-(2-nitrophenyl)prop-2-enoate
Also Known As: ethyl (2E)-2-cyano-3-(2-nitrophenyl)prop-2-enoate, ethyl (E)-2-cyano-3-(2-nitrophenyl)prop-2-enoate, 5J-401S, ethyl 2-nitrophenylmethylene-cyanoacetate, J2.630.705H
| Molecular Formula | C12H10N2O4 |
|---|---|
| Molecular Weight | 246.06 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 95.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 246.06406 |
| Heavy Atoms | 18 |
| Complexity | 402.0 |
Chemical Identifiers
| CAS Number | 68792-18-7 |
|---|---|
| SMILES | CCOC(=O)/C(=C/C1=CC=CC=C1[N+](=O)[O-])/C#N |
| InChIKey | CZPQZBRWWGSHSL-JXMROGBWSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
ethyl (2E)-2-cyano-3-(2-nitrophenyl)prop-2-enoate (CAS 68792-18-7), with molecular formula C12H10N2O4 and molecular weight 246.06 g/mol. IUPAC: ethyl (E)-2-cyano-3-(2-nitrophenyl)prop-2-enoate.
Chemical Property Profile of ethyl (2E)-2-cyano-3-(2-nitrophenyl)prop-2-enoate
Property Insights of ethyl (2E)-2-cyano-3-(2-nitrophenyl)prop-2-enoate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (2E)-2-cyano-3-(2-nitrophenyl)prop-2-enoate. The TPSA of 95.9 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl (2E)-2-cyano-3-(2-nitrophenyl)prop-2-enoate. Following Lipinski's Rule of Five, ethyl (2E)-2-cyano-3-(2-nitrophenyl)prop-2-enoate 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 (2E)-2-cyano-3-(2-nitrophenyl)prop-2-enoate?
The CAS number of ethyl (2E)-2-cyano-3-(2-nitrophenyl)prop-2-enoate is 68792-18-7.
What is the molecular formula of ethyl (2E)-2-cyano-3-(2-nitrophenyl)prop-2-enoate?
The molecular formula of ethyl (2E)-2-cyano-3-(2-nitrophenyl)prop-2-enoate is C12H10N2O4.
What is the molecular weight of ethyl (2E)-2-cyano-3-(2-nitrophenyl)prop-2-enoate?
The molecular weight of ethyl (2E)-2-cyano-3-(2-nitrophenyl)prop-2-enoate is 246.06 g/mol.
Where can I buy ethyl (2E)-2-cyano-3-(2-nitrophenyl)prop-2-enoate?
You can request a quote for ethyl (2E)-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 ethyl (2E)-2-cyano-3-(2-nitrophenyl)prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (2E)-2-cyano-3-(2-nitrophenyl)prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.