methyl 4-((E)-((E)-2-(1-cyano-2-oxo-2-(m-tolylamino)ethylidene)-4-oxo-3-phenylthiazolidin-5-ylidene)methyl)benzoate
TL;DR: methyl 4-((E)-((E)-2-(1-cyano-2-oxo-2-(m-tolylamino)ethylidene)-4-oxo-3-phenylthiazolidin-5-ylidene)methyl)benzoate (CAS 845899-58-3) is a chemical compound with molecular formula C28H21N3O4S and molecular weight 495.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(E)-[(2E)-2-[1-cyano-2-(3-methylanilino)-2-oxoethylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]methyl]benzoate
Also Known As: methyl 4-((E)-((E)-2-(1-cyano-2-oxo-2-(m-tolylamino)ethylidene)-4-oxo-3-phenylthiazolidin-5-ylidene)methyl)benzoate, methyl 4-[(E)-[(2E)-2-[1-cyano-2-(3-methylanilino)-2-oxoethylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]methyl]benzoate, methyl 4-{(E)-[(2E)-2-{1-cyano-2-[(3-methylphenyl)amino]-2-oxoethylidene}-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]methyl}benzoate
| Molecular Formula | C28H21N3O4S |
|---|---|
| Molecular Weight | 495.13 g/mol |
| LogP | 3.1358 |
| Topological Polar Surface Area | 101.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 495.12527 |
| Heavy Atoms | 36 |
| Complexity | 1660.9403 |
Chemical Identifiers
| CAS Number | 845899-58-3 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(=O)/C(=C/2\N(C(=O)/C(=C\C3=CC=C(C=C3)C(=O)OC)/S2)C4=CC=CC=C4)/C#N |
Product Overview
methyl 4-((E)-((E)-2-(1-cyano-2-oxo-2-(m-tolylamino)ethylidene)-4-oxo-3-phenylthiazolidin-5-ylidene)methyl)benzoate (CAS 845899-58-3), with molecular formula C28H21N3O4S and molecular weight 495.13 g/mol. IUPAC: methyl 4-[(E)-[(2E)-2-[1-cyano-2-(3-methylanilino)-2-oxoethylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]methyl]benzoate.
Chemical Property Profile of methyl 4-((E)-((E)-2-(1-cyano-2-oxo-2-(m-tolylamino)ethylidene)-4-oxo-3-phenylthiazolidin-5-ylidene)methyl)benzoate
Property Insights of methyl 4-((E)-((E)-2-(1-cyano-2-oxo-2-(m-tolylamino)ethylidene)-4-oxo-3-phenylthiazolidin-5-ylidene)methyl)benzoate
The XLogP value of 3.1358 indicates that methyl 4-((E)-((E)-2-(1-cyano-2-oxo-2-(m-tolylamino)ethylidene)-4-oxo-3-phenylthiazolidin-5-ylidene)methyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.19 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-((E)-((E)-2-(1-cyano-2-oxo-2-(m-tolylamino)ethylidene)-4-oxo-3-phenylthiazolidin-5-ylidene)methyl)benzoate. Following Lipinski's Rule of Five, methyl 4-((E)-((E)-2-(1-cyano-2-oxo-2-(m-tolylamino)ethylidene)-4-oxo-3-phenylthiazolidin-5-ylidene)methyl)benzoate 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 methyl 4-((E)-((E)-2-(1-cyano-2-oxo-2-(m-tolylamino)ethylidene)-4-oxo-3-phenylthiazolidin-5-ylidene)methyl)benzoate?
The CAS number of methyl 4-((E)-((E)-2-(1-cyano-2-oxo-2-(m-tolylamino)ethylidene)-4-oxo-3-phenylthiazolidin-5-ylidene)methyl)benzoate is 845899-58-3.
What is the molecular formula of methyl 4-((E)-((E)-2-(1-cyano-2-oxo-2-(m-tolylamino)ethylidene)-4-oxo-3-phenylthiazolidin-5-ylidene)methyl)benzoate?
The molecular formula of methyl 4-((E)-((E)-2-(1-cyano-2-oxo-2-(m-tolylamino)ethylidene)-4-oxo-3-phenylthiazolidin-5-ylidene)methyl)benzoate is C28H21N3O4S.
What is the molecular weight of methyl 4-((E)-((E)-2-(1-cyano-2-oxo-2-(m-tolylamino)ethylidene)-4-oxo-3-phenylthiazolidin-5-ylidene)methyl)benzoate?
The molecular weight of methyl 4-((E)-((E)-2-(1-cyano-2-oxo-2-(m-tolylamino)ethylidene)-4-oxo-3-phenylthiazolidin-5-ylidene)methyl)benzoate is 495.13 g/mol.
Where can I buy methyl 4-((E)-((E)-2-(1-cyano-2-oxo-2-(m-tolylamino)ethylidene)-4-oxo-3-phenylthiazolidin-5-ylidene)methyl)benzoate?
You can request a quote for methyl 4-((E)-((E)-2-(1-cyano-2-oxo-2-(m-tolylamino)ethylidene)-4-oxo-3-phenylthiazolidin-5-ylidene)methyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-((E)-((E)-2-(1-cyano-2-oxo-2-(m-tolylamino)ethylidene)-4-oxo-3-phenylthiazolidin-5-ylidene)methyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-((E)-((E)-2-(1-cyano-2-oxo-2-(m-tolylamino)ethylidene)-4-oxo-3-phenylthiazolidin-5-ylidene)methyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.