(Z)-methyl 5-acetyl-2-((2-cyano-2-(4-(4-fluorophenyl)thiazol-2-yl)vinyl)amino)-4-methylthiophene-3-carboxylate
TL;DR: (Z)-methyl 5-acetyl-2-((2-cyano-2-(4-(4-fluorophenyl)thiazol-2-yl)vinyl)amino)-4-methylthiophene-3-carboxylate (CAS 896806-30-7) is a chemical compound with molecular formula C21H16FN3O3S2 and molecular weight 441.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-acetyl-2-[[(Z)-2-cyano-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethenyl]amino]-4-methylthiophene-3-carboxylate
Also Known As: (Z)-methyl 5-acetyl-2-((2-cyano-2-(4-(4-fluorophenyl)thiazol-2-yl)vinyl)amino)-4-methylthiophene-3-carboxylate, methyl 5-acetyl-2-({(Z)-2-cyano-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethenyl}amino)-4-methylthiophene-3-carboxylate, methyl 5-acetyl-2-[[(Z)-2-cyano-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethenyl]amino]-4-methylthiophene-3-carboxylate
| Molecular Formula | C21H16FN3O3S2 |
|---|---|
| Molecular Weight | 441.06 g/mol |
| LogP | 5.2849 |
| Topological Polar Surface Area | 92.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 441.0617 |
| Heavy Atoms | 30 |
| Complexity | 1187.295 |
Chemical Identifiers
| CAS Number | 896806-30-7 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OC)N/C=C(/C#N)\C2=NC(=CS2)C3=CC=C(C=C3)F)C(=O)C |
Product Overview
(Z)-methyl 5-acetyl-2-((2-cyano-2-(4-(4-fluorophenyl)thiazol-2-yl)vinyl)amino)-4-methylthiophene-3-carboxylate (CAS 896806-30-7), with molecular formula C21H16FN3O3S2 and molecular weight 441.06 g/mol. IUPAC: methyl 5-acetyl-2-[[(Z)-2-cyano-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethenyl]amino]-4-methylthiophene-3-carboxylate.
Chemical Property Profile of (Z)-methyl 5-acetyl-2-((2-cyano-2-(4-(4-fluorophenyl)thiazol-2-yl)vinyl)amino)-4-methylthiophene-3-carboxylate
Property Insights of (Z)-methyl 5-acetyl-2-((2-cyano-2-(4-(4-fluorophenyl)thiazol-2-yl)vinyl)amino)-4-methylthiophene-3-carboxylate
The XLogP value of 5.2849 indicates that (Z)-methyl 5-acetyl-2-((2-cyano-2-(4-(4-fluorophenyl)thiazol-2-yl)vinyl)amino)-4-methylthiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.08 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-methyl 5-acetyl-2-((2-cyano-2-(4-(4-fluorophenyl)thiazol-2-yl)vinyl)amino)-4-methylthiophene-3-carboxylate. Following Lipinski's Rule of Five, (Z)-methyl 5-acetyl-2-((2-cyano-2-(4-(4-fluorophenyl)thiazol-2-yl)vinyl)amino)-4-methylthiophene-3-carboxylate has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (Z)-methyl 5-acetyl-2-((2-cyano-2-(4-(4-fluorophenyl)thiazol-2-yl)vinyl)amino)-4-methylthiophene-3-carboxylate?
The CAS number of (Z)-methyl 5-acetyl-2-((2-cyano-2-(4-(4-fluorophenyl)thiazol-2-yl)vinyl)amino)-4-methylthiophene-3-carboxylate is 896806-30-7.
What is the molecular formula of (Z)-methyl 5-acetyl-2-((2-cyano-2-(4-(4-fluorophenyl)thiazol-2-yl)vinyl)amino)-4-methylthiophene-3-carboxylate?
The molecular formula of (Z)-methyl 5-acetyl-2-((2-cyano-2-(4-(4-fluorophenyl)thiazol-2-yl)vinyl)amino)-4-methylthiophene-3-carboxylate is C21H16FN3O3S2.
What is the molecular weight of (Z)-methyl 5-acetyl-2-((2-cyano-2-(4-(4-fluorophenyl)thiazol-2-yl)vinyl)amino)-4-methylthiophene-3-carboxylate?
The molecular weight of (Z)-methyl 5-acetyl-2-((2-cyano-2-(4-(4-fluorophenyl)thiazol-2-yl)vinyl)amino)-4-methylthiophene-3-carboxylate is 441.06 g/mol.
Where can I buy (Z)-methyl 5-acetyl-2-((2-cyano-2-(4-(4-fluorophenyl)thiazol-2-yl)vinyl)amino)-4-methylthiophene-3-carboxylate?
You can request a quote for (Z)-methyl 5-acetyl-2-((2-cyano-2-(4-(4-fluorophenyl)thiazol-2-yl)vinyl)amino)-4-methylthiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-methyl 5-acetyl-2-((2-cyano-2-(4-(4-fluorophenyl)thiazol-2-yl)vinyl)amino)-4-methylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-methyl 5-acetyl-2-((2-cyano-2-(4-(4-fluorophenyl)thiazol-2-yl)vinyl)amino)-4-methylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.