(Z)-ethyl 2-cyano-2-(3-(4-fluorophenyl)-5-(4-methylbenzyl)-4-oxothiazolidin-2-ylidene)acetate
TL;DR: (Z)-ethyl 2-cyano-2-(3-(4-fluorophenyl)-5-(4-methylbenzyl)-4-oxothiazolidin-2-ylidene)acetate (CAS 786677-97-2) is a chemical compound with molecular formula C22H19FN2O3S and molecular weight 410.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2Z)-2-cyano-2-[3-(4-fluorophenyl)-5-[(4-methylphenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
Also Known As: (Z)-ethyl 2-cyano-2-(3-(4-fluorophenyl)-5-(4-methylbenzyl)-4-oxothiazolidin-2-ylidene)acetate, F3077-1072, ethyl (2Z)-2-cyano-2-[3-(4-fluorophenyl)-5-[(4-methylphenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate, ETHYL 2-CYANO-2-[(2Z)-3-(4-FLUOROPHENYL)-5-[(4-METHYLPHENYL)METHYL]-4-OXO-1,3-THIAZOLIDIN-2-YLIDENE]ACETATE, ethyl (2Z)-cyano[3-(4-fluorophenyl)-5-(4-methylbenzyl)-4-oxo-1,3-thiazolidin-2-ylidene]ethanoate
| Molecular Formula | C22H19FN2O3S |
|---|---|
| Molecular Weight | 410.11 g/mol |
| LogP | 4.1235 |
| Topological Polar Surface Area | 70.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 410.11005 |
| Heavy Atoms | 29 |
| Complexity | 994.2126 |
Chemical Identifiers
| CAS Number | 786677-97-2 |
|---|---|
| SMILES | CCOC(=O)/C(=C\1/N(C(=O)C(S1)CC2=CC=C(C=C2)C)C3=CC=C(C=C3)F)/C#N |
Product Overview
(Z)-ethyl 2-cyano-2-(3-(4-fluorophenyl)-5-(4-methylbenzyl)-4-oxothiazolidin-2-ylidene)acetate (CAS 786677-97-2), with molecular formula C22H19FN2O3S and molecular weight 410.11 g/mol. IUPAC: ethyl (2Z)-2-cyano-2-[3-(4-fluorophenyl)-5-[(4-methylphenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate.
Chemical Property Profile of (Z)-ethyl 2-cyano-2-(3-(4-fluorophenyl)-5-(4-methylbenzyl)-4-oxothiazolidin-2-ylidene)acetate
Property Insights of (Z)-ethyl 2-cyano-2-(3-(4-fluorophenyl)-5-(4-methylbenzyl)-4-oxothiazolidin-2-ylidene)acetate
The XLogP value of 4.1235 indicates that (Z)-ethyl 2-cyano-2-(3-(4-fluorophenyl)-5-(4-methylbenzyl)-4-oxothiazolidin-2-ylidene)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-ethyl 2-cyano-2-(3-(4-fluorophenyl)-5-(4-methylbenzyl)-4-oxothiazolidin-2-ylidene)acetate. Following Lipinski's Rule of Five, (Z)-ethyl 2-cyano-2-(3-(4-fluorophenyl)-5-(4-methylbenzyl)-4-oxothiazolidin-2-ylidene)acetate has 0 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 (Z)-ethyl 2-cyano-2-(3-(4-fluorophenyl)-5-(4-methylbenzyl)-4-oxothiazolidin-2-ylidene)acetate?
The CAS number of (Z)-ethyl 2-cyano-2-(3-(4-fluorophenyl)-5-(4-methylbenzyl)-4-oxothiazolidin-2-ylidene)acetate is 786677-97-2.
What is the molecular formula of (Z)-ethyl 2-cyano-2-(3-(4-fluorophenyl)-5-(4-methylbenzyl)-4-oxothiazolidin-2-ylidene)acetate?
The molecular formula of (Z)-ethyl 2-cyano-2-(3-(4-fluorophenyl)-5-(4-methylbenzyl)-4-oxothiazolidin-2-ylidene)acetate is C22H19FN2O3S.
What is the molecular weight of (Z)-ethyl 2-cyano-2-(3-(4-fluorophenyl)-5-(4-methylbenzyl)-4-oxothiazolidin-2-ylidene)acetate?
The molecular weight of (Z)-ethyl 2-cyano-2-(3-(4-fluorophenyl)-5-(4-methylbenzyl)-4-oxothiazolidin-2-ylidene)acetate is 410.11 g/mol.
Where can I buy (Z)-ethyl 2-cyano-2-(3-(4-fluorophenyl)-5-(4-methylbenzyl)-4-oxothiazolidin-2-ylidene)acetate?
You can request a quote for (Z)-ethyl 2-cyano-2-(3-(4-fluorophenyl)-5-(4-methylbenzyl)-4-oxothiazolidin-2-ylidene)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-ethyl 2-cyano-2-(3-(4-fluorophenyl)-5-(4-methylbenzyl)-4-oxothiazolidin-2-ylidene)acetate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-ethyl 2-cyano-2-(3-(4-fluorophenyl)-5-(4-methylbenzyl)-4-oxothiazolidin-2-ylidene)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.