(Z)-methyl 2-cyano-2-(5-(4-methylbenzyl)-4-oxo-3-phenylthiazolidin-2-ylidene)acetate
TL;DR: (Z)-methyl 2-cyano-2-(5-(4-methylbenzyl)-4-oxo-3-phenylthiazolidin-2-ylidene)acetate (CAS 496773-77-4) is a chemical compound with molecular formula C21H18N2O3S and molecular weight 378.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2Z)-2-cyano-2-[5-[(4-methylphenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetate
Also Known As: (Z)-methyl 2-cyano-2-(5-(4-methylbenzyl)-4-oxo-3-phenylthiazolidin-2-ylidene)acetate, F3375-1501, METHYL 2-CYANO-2-[(2Z)-5-[(4-METHYLPHENYL)METHYL]-4-OXO-3-PHENYL-1,3-THIAZOLIDIN-2-YLIDENE]ACETATE, methyl (2Z)-2-cyano-2-[5-[(4-methylphenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetate, methyl (2Z)-cyano[5-(4-methylbenzyl)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]ethanoate
| Molecular Formula | C21H18N2O3S |
|---|---|
| Molecular Weight | 378.10 g/mol |
| LogP | 3.5943 |
| Topological Polar Surface Area | 70.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 378.10382 |
| Heavy Atoms | 27 |
| Complexity | 930.1491 |
Chemical Identifiers
| CAS Number | 496773-77-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CC2C(=O)N(/C(=C(\C#N)/C(=O)OC)/S2)C3=CC=CC=C3 |
Product Overview
(Z)-methyl 2-cyano-2-(5-(4-methylbenzyl)-4-oxo-3-phenylthiazolidin-2-ylidene)acetate (CAS 496773-77-4), with molecular formula C21H18N2O3S and molecular weight 378.10 g/mol. IUPAC: methyl (2Z)-2-cyano-2-[5-[(4-methylphenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetate.
Chemical Property Profile of (Z)-methyl 2-cyano-2-(5-(4-methylbenzyl)-4-oxo-3-phenylthiazolidin-2-ylidene)acetate
Property Insights of (Z)-methyl 2-cyano-2-(5-(4-methylbenzyl)-4-oxo-3-phenylthiazolidin-2-ylidene)acetate
The XLogP value of 3.5943 indicates that (Z)-methyl 2-cyano-2-(5-(4-methylbenzyl)-4-oxo-3-phenylthiazolidin-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)-methyl 2-cyano-2-(5-(4-methylbenzyl)-4-oxo-3-phenylthiazolidin-2-ylidene)acetate. Following Lipinski's Rule of Five, (Z)-methyl 2-cyano-2-(5-(4-methylbenzyl)-4-oxo-3-phenylthiazolidin-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)-methyl 2-cyano-2-(5-(4-methylbenzyl)-4-oxo-3-phenylthiazolidin-2-ylidene)acetate?
The CAS number of (Z)-methyl 2-cyano-2-(5-(4-methylbenzyl)-4-oxo-3-phenylthiazolidin-2-ylidene)acetate is 496773-77-4.
What is the molecular formula of (Z)-methyl 2-cyano-2-(5-(4-methylbenzyl)-4-oxo-3-phenylthiazolidin-2-ylidene)acetate?
The molecular formula of (Z)-methyl 2-cyano-2-(5-(4-methylbenzyl)-4-oxo-3-phenylthiazolidin-2-ylidene)acetate is C21H18N2O3S.
What is the molecular weight of (Z)-methyl 2-cyano-2-(5-(4-methylbenzyl)-4-oxo-3-phenylthiazolidin-2-ylidene)acetate?
The molecular weight of (Z)-methyl 2-cyano-2-(5-(4-methylbenzyl)-4-oxo-3-phenylthiazolidin-2-ylidene)acetate is 378.10 g/mol.
Where can I buy (Z)-methyl 2-cyano-2-(5-(4-methylbenzyl)-4-oxo-3-phenylthiazolidin-2-ylidene)acetate?
You can request a quote for (Z)-methyl 2-cyano-2-(5-(4-methylbenzyl)-4-oxo-3-phenylthiazolidin-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)-methyl 2-cyano-2-(5-(4-methylbenzyl)-4-oxo-3-phenylthiazolidin-2-ylidene)acetate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-methyl 2-cyano-2-(5-(4-methylbenzyl)-4-oxo-3-phenylthiazolidin-2-ylidene)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.