Ethyl 2-(4-amino-3-phenyl-1,3-thiazol-2-ylidene)-2-cyanoacetate
TL;DR: Ethyl 2-(4-amino-3-phenyl-1,3-thiazol-2-ylidene)-2-cyanoacetate (CAS 59615-84-8) is a chemical compound with molecular formula C14H13N3O2S and molecular weight 287.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(4-amino-3-phenyl-1,3-thiazol-2-ylidene)-2-cyanoacetate
Also Known As: ethyl (2E)-2-(4-amino-3-phenyl-1,3-thiazol-2-ylidene)-2-cyan, ethyl 2-(4-amino-3-phenyl-1,3-thiazol-2-ylidene)-2-cyanoacetate
| Molecular Formula | C14H13N3O2S |
|---|---|
| Molecular Weight | 287.07 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 287.07285 |
| Heavy Atoms | 20 |
| Complexity | 498.0 |
Chemical Identifiers
| CAS Number | 59615-84-8 |
|---|---|
| SMILES | CCOC(=O)C(=C1N(C(=CS1)N)C2=CC=CC=C2)C#N |
| InChIKey | MHWCDGSRDAGZHU-UHFFFAOYSA-N |
Product Overview
Ethyl 2-(4-amino-3-phenyl-1,3-thiazol-2-ylidene)-2-cyanoacetate (CAS 59615-84-8), with molecular formula C14H13N3O2S and molecular weight 287.07 g/mol. IUPAC: ethyl 2-(4-amino-3-phenyl-1,3-thiazol-2-ylidene)-2-cyanoacetate.
Chemical Property Profile of Ethyl 2-(4-amino-3-phenyl-1,3-thiazol-2-ylidene)-2-cyanoacetate
Property Insights of Ethyl 2-(4-amino-3-phenyl-1,3-thiazol-2-ylidene)-2-cyanoacetate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(4-amino-3-phenyl-1,3-thiazol-2-ylidene)-2-cyanoacetate. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(4-amino-3-phenyl-1,3-thiazol-2-ylidene)-2-cyanoacetate. Following Lipinski's Rule of Five, Ethyl 2-(4-amino-3-phenyl-1,3-thiazol-2-ylidene)-2-cyanoacetate 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-(4-amino-3-phenyl-1,3-thiazol-2-ylidene)-2-cyanoacetate?
The CAS number of Ethyl 2-(4-amino-3-phenyl-1,3-thiazol-2-ylidene)-2-cyanoacetate is 59615-84-8.
What is the molecular formula of Ethyl 2-(4-amino-3-phenyl-1,3-thiazol-2-ylidene)-2-cyanoacetate?
The molecular formula of Ethyl 2-(4-amino-3-phenyl-1,3-thiazol-2-ylidene)-2-cyanoacetate is C14H13N3O2S.
What is the molecular weight of Ethyl 2-(4-amino-3-phenyl-1,3-thiazol-2-ylidene)-2-cyanoacetate?
The molecular weight of Ethyl 2-(4-amino-3-phenyl-1,3-thiazol-2-ylidene)-2-cyanoacetate is 287.07 g/mol.
Where can I buy Ethyl 2-(4-amino-3-phenyl-1,3-thiazol-2-ylidene)-2-cyanoacetate?
You can request a quote for Ethyl 2-(4-amino-3-phenyl-1,3-thiazol-2-ylidene)-2-cyanoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(4-amino-3-phenyl-1,3-thiazol-2-ylidene)-2-cyanoacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(4-amino-3-phenyl-1,3-thiazol-2-ylidene)-2-cyanoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.