(E)-2-cyano-2-(5-ethyl-3-(4-fluorophenyl)-4-oxothiazolidin-2-ylidene)acetamide
TL;DR: (E)-2-cyano-2-(5-ethyl-3-(4-fluorophenyl)-4-oxothiazolidin-2-ylidene)acetamide (CAS 1164503-76-7) is a chemical compound with molecular formula C14H12FN3O2S and molecular weight 305.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-2-cyano-2-[5-ethyl-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
Also Known As: (E)-2-cyano-2-(5-ethyl-3-(4-fluorophenyl)-4-oxothiazolidin-2-ylidene)acetamide, (2E)-2-cyano-2-[5-ethyl-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide, 2-CYANO-2-[(2E)-5-ETHYL-3-(4-FLUOROPHENYL)-4-OXO-1,3-THIAZOLIDIN-2-YLIDENE]ACETAMIDE, (2E)-2-cyano-2-[5-ethyl-3-(4-fluorophenyl)-4-keto-thiazolidin-2-ylidene]acetamide, (2E)-2-cyano-2-[5-ethyl-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]ethanamide
| Molecular Formula | C14H12FN3O2S |
|---|---|
| Molecular Weight | 305.06 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 305.06342 |
| Heavy Atoms | 21 |
| Complexity | 532.0 |
Chemical Identifiers
| CAS Number | 1164503-76-7 |
|---|---|
| SMILES | CCC1C(=O)N(/C(=C(/C#N)\C(=O)N)/S1)C2=CC=C(C=C2)F |
| InChIKey | PNGUYBLNBKYBDN-GXDHUFHOSA-N |
Product Overview
(E)-2-cyano-2-(5-ethyl-3-(4-fluorophenyl)-4-oxothiazolidin-2-ylidene)acetamide (CAS 1164503-76-7), with molecular formula C14H12FN3O2S and molecular weight 305.06 g/mol. IUPAC: (2E)-2-cyano-2-[5-ethyl-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide.
Chemical Property Profile of (E)-2-cyano-2-(5-ethyl-3-(4-fluorophenyl)-4-oxothiazolidin-2-ylidene)acetamide
Property Insights of (E)-2-cyano-2-(5-ethyl-3-(4-fluorophenyl)-4-oxothiazolidin-2-ylidene)acetamide
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-2-cyano-2-(5-ethyl-3-(4-fluorophenyl)-4-oxothiazolidin-2-ylidene)acetamide. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-cyano-2-(5-ethyl-3-(4-fluorophenyl)-4-oxothiazolidin-2-ylidene)acetamide. Following Lipinski's Rule of Five, (E)-2-cyano-2-(5-ethyl-3-(4-fluorophenyl)-4-oxothiazolidin-2-ylidene)acetamide 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
Frequently Asked Questions
What is the CAS number of (E)-2-cyano-2-(5-ethyl-3-(4-fluorophenyl)-4-oxothiazolidin-2-ylidene)acetamide?
The CAS number of (E)-2-cyano-2-(5-ethyl-3-(4-fluorophenyl)-4-oxothiazolidin-2-ylidene)acetamide is 1164503-76-7.
What is the molecular formula of (E)-2-cyano-2-(5-ethyl-3-(4-fluorophenyl)-4-oxothiazolidin-2-ylidene)acetamide?
The molecular formula of (E)-2-cyano-2-(5-ethyl-3-(4-fluorophenyl)-4-oxothiazolidin-2-ylidene)acetamide is C14H12FN3O2S.
What is the molecular weight of (E)-2-cyano-2-(5-ethyl-3-(4-fluorophenyl)-4-oxothiazolidin-2-ylidene)acetamide?
The molecular weight of (E)-2-cyano-2-(5-ethyl-3-(4-fluorophenyl)-4-oxothiazolidin-2-ylidene)acetamide is 305.06 g/mol.
Where can I buy (E)-2-cyano-2-(5-ethyl-3-(4-fluorophenyl)-4-oxothiazolidin-2-ylidene)acetamide?
You can request a quote for (E)-2-cyano-2-(5-ethyl-3-(4-fluorophenyl)-4-oxothiazolidin-2-ylidene)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-cyano-2-(5-ethyl-3-(4-fluorophenyl)-4-oxothiazolidin-2-ylidene)acetamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-cyano-2-(5-ethyl-3-(4-fluorophenyl)-4-oxothiazolidin-2-ylidene)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.