Ethyl 2-cyano-3-(methylsulfanyl)-3-(phenylamino)prop-2-enoate
TL;DR: Ethyl 2-cyano-3-(methylsulfanyl)-3-(phenylamino)prop-2-enoate (CAS 107427-86-1) is a chemical compound with molecular formula C13H14N2O2S and molecular weight 262.0776 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl (Z)-3-anilino-2-cyano-3-methylsulfanylprop-2-enoate
Also Known As: ethyl 2-cyano-3-(methylsulfanyl)-3-(phenylamino)prop-2-enoate, Ethyl 2-nitrilo-3-methylthio-3-(phenylamino)prop-2-enoate, J1.206.059I, ethyl 2-cyano-3-methylthio-3-phenylaminoacrylate, ethyl (Z)-3-anilino-2-cyano-3-methylsulfanylprop-2-enoate
Technical Specifications
| Molecular Formula | C13H14N2O2S |
| Molecular Weight | 262.0776 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 87.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 262.0776 Da |
| Heavy Atoms | 18 |
| Complexity | 364.0 |
| SMILES | CCOC(=O)/C(=C(/NC1=CC=CC=C1)\SC)/C#N |
| InChIKey | SXJJUZCQEIWUAO-QXMHVHEDSA-N |
Chemical Property Profile of Ethyl 2-cyano-3-(methylsulfanyl)-3-(phenylamino)prop-2-enoate
Property Insights of Ethyl 2-cyano-3-(methylsulfanyl)-3-(phenylamino)prop-2-enoate
The XLogP value of 3.5 indicates that Ethyl 2-cyano-3-(methylsulfanyl)-3-(phenylamino)prop-2-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-cyano-3-(methylsulfanyl)-3-(phenylamino)prop-2-enoate. Following Lipinski's Rule of Five, Ethyl 2-cyano-3-(methylsulfanyl)-3-(phenylamino)prop-2-enoate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ethyl 2-cyano-3-(methylsulfanyl)-3-(phenylamino)prop-2-enoate?
The CAS number of Ethyl 2-cyano-3-(methylsulfanyl)-3-(phenylamino)prop-2-enoate is 107427-86-1.
What is the molecular formula of Ethyl 2-cyano-3-(methylsulfanyl)-3-(phenylamino)prop-2-enoate?
The molecular formula of Ethyl 2-cyano-3-(methylsulfanyl)-3-(phenylamino)prop-2-enoate is C13H14N2O2S.
What is the molecular weight of Ethyl 2-cyano-3-(methylsulfanyl)-3-(phenylamino)prop-2-enoate?
The molecular weight of Ethyl 2-cyano-3-(methylsulfanyl)-3-(phenylamino)prop-2-enoate is 262.0776 g/mol.
Where can I buy Ethyl 2-cyano-3-(methylsulfanyl)-3-(phenylamino)prop-2-enoate?
You can request a quote for Ethyl 2-cyano-3-(methylsulfanyl)-3-(phenylamino)prop-2-enoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 2-cyano-3-(methylsulfanyl)-3-(phenylamino)prop-2-enoate?
Yes, CoreyChem provides custom synthesis services for Ethyl 2-cyano-3-(methylsulfanyl)-3-(phenylamino)prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.