(E)-Ethyl 2-cyano-2-(5-methoxy-2,3-dihydro-1H-inden-1-ylidene)acetate
TL;DR: (E)-Ethyl 2-cyano-2-(5-methoxy-2,3-dihydro-1H-inden-1-ylidene)acetate (CAS 80370-84-9) is a chemical compound with molecular formula C15H15NO3 and molecular weight 257.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-cyano-2-(5-methoxy-2,3-dihydroinden-1-ylidene)acetate
Also Known As: ceftiofur acid, ethyl 2-cyano-2-(5-methoxy-2,3-dihydroinden-1-ylidene)acetate, ethyl (2E)-2-cyano-2-(5-methoxy-2,3-dihydroinden-1-ylidene)acetate, ETHYL 2-CYANO-2-(5-METHOXY-2,3-DIHYDRO-1H-INDEN-1-YLIDENE)ACETATE, ethyl cyano(5-methoxy-2,3-dihydro-1H-inden-1-ylidene)acetate
| Molecular Formula | C15H15NO3 |
|---|---|
| Molecular Weight | 257.11 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 59.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 257.1052 |
| Heavy Atoms | 19 |
| Complexity | 432.0 |
Chemical Identifiers
| CAS Number | 80370-84-9 |
|---|---|
| SMILES | CCOC(=O)C(=C1CCC2=C1C=CC(=C2)OC)C#N |
| InChIKey | QSLSNWSHYYUPBX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(E)-Ethyl 2-cyano-2-(5-methoxy-2,3-dihydro-1H-inden-1-ylidene)acetate (CAS 80370-84-9), with molecular formula C15H15NO3 and molecular weight 257.11 g/mol. IUPAC: ethyl 2-cyano-2-(5-methoxy-2,3-dihydroinden-1-ylidene)acetate.
Chemical Property Profile of (E)-Ethyl 2-cyano-2-(5-methoxy-2,3-dihydro-1H-inden-1-ylidene)acetate
Property Insights of (E)-Ethyl 2-cyano-2-(5-methoxy-2,3-dihydro-1H-inden-1-ylidene)acetate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-Ethyl 2-cyano-2-(5-methoxy-2,3-dihydro-1H-inden-1-ylidene)acetate. With a topological polar surface area (TPSA) of 59.3 Ų, (E)-Ethyl 2-cyano-2-(5-methoxy-2,3-dihydro-1H-inden-1-ylidene)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-Ethyl 2-cyano-2-(5-methoxy-2,3-dihydro-1H-inden-1-ylidene)acetate has 0 hydrogen bond donor(s) and 4 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 (E)-Ethyl 2-cyano-2-(5-methoxy-2,3-dihydro-1H-inden-1-ylidene)acetate?
The CAS number of (E)-Ethyl 2-cyano-2-(5-methoxy-2,3-dihydro-1H-inden-1-ylidene)acetate is 80370-84-9.
What is the molecular formula of (E)-Ethyl 2-cyano-2-(5-methoxy-2,3-dihydro-1H-inden-1-ylidene)acetate?
The molecular formula of (E)-Ethyl 2-cyano-2-(5-methoxy-2,3-dihydro-1H-inden-1-ylidene)acetate is C15H15NO3.
What is the molecular weight of (E)-Ethyl 2-cyano-2-(5-methoxy-2,3-dihydro-1H-inden-1-ylidene)acetate?
The molecular weight of (E)-Ethyl 2-cyano-2-(5-methoxy-2,3-dihydro-1H-inden-1-ylidene)acetate is 257.11 g/mol.
Where can I buy (E)-Ethyl 2-cyano-2-(5-methoxy-2,3-dihydro-1H-inden-1-ylidene)acetate?
You can request a quote for (E)-Ethyl 2-cyano-2-(5-methoxy-2,3-dihydro-1H-inden-1-ylidene)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-Ethyl 2-cyano-2-(5-methoxy-2,3-dihydro-1H-inden-1-ylidene)acetate?
Yes, KEHONG BIO provides custom synthesis services for (E)-Ethyl 2-cyano-2-(5-methoxy-2,3-dihydro-1H-inden-1-ylidene)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.