Ethyl 2-cyano-3-(3-nitroanilino)prop-2-enoate
TL;DR: Ethyl 2-cyano-3-(3-nitroanilino)prop-2-enoate (CAS 2305-71-7) is a chemical compound with molecular formula C12H11N3O4 and molecular weight 261.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-cyano-3-(3-nitroanilino)prop-2-enoate
Also Known As: BAS 00245581, ethyl 2-cyano-3-(3-nitroanilino)prop-2-enoate, ethyl 2-cyano-3-(3-nitroanilino)-2-propenoate, Ethyl 2-cyano-3-[(3-nitrophenyl)amino]-2-propenoate
| Molecular Formula | C12H11N3O4 |
|---|---|
| Molecular Weight | 261.07 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 261.07495 |
| Heavy Atoms | 19 |
| Complexity | 418.0 |
Chemical Identifiers
| CAS Number | 2305-71-7 |
|---|---|
| SMILES | CCOC(=O)C(=CNC1=CC(=CC=C1)[N+](=O)[O-])C#N |
| InChIKey | BLUBPGARMHCOHA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-cyano-3-(3-nitroanilino)prop-2-enoate (CAS 2305-71-7), with molecular formula C12H11N3O4 and molecular weight 261.07 g/mol. IUPAC: ethyl 2-cyano-3-(3-nitroanilino)prop-2-enoate.
Chemical Property Profile of Ethyl 2-cyano-3-(3-nitroanilino)prop-2-enoate
Property Insights of Ethyl 2-cyano-3-(3-nitroanilino)prop-2-enoate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-cyano-3-(3-nitroanilino)prop-2-enoate. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-cyano-3-(3-nitroanilino)prop-2-enoate. Following Lipinski's Rule of Five, Ethyl 2-cyano-3-(3-nitroanilino)prop-2-enoate has 1 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 Ethyl 2-cyano-3-(3-nitroanilino)prop-2-enoate?
The CAS number of Ethyl 2-cyano-3-(3-nitroanilino)prop-2-enoate is 2305-71-7.
What is the molecular formula of Ethyl 2-cyano-3-(3-nitroanilino)prop-2-enoate?
The molecular formula of Ethyl 2-cyano-3-(3-nitroanilino)prop-2-enoate is C12H11N3O4.
What is the molecular weight of Ethyl 2-cyano-3-(3-nitroanilino)prop-2-enoate?
The molecular weight of Ethyl 2-cyano-3-(3-nitroanilino)prop-2-enoate is 261.07 g/mol.
Where can I buy Ethyl 2-cyano-3-(3-nitroanilino)prop-2-enoate?
You can request a quote for Ethyl 2-cyano-3-(3-nitroanilino)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 2-cyano-3-(3-nitroanilino)prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-cyano-3-(3-nitroanilino)prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.