![methyl (2E)-2-[(2E)-2-[1-cyano-2-(furan-2-ylmethylamino)-2-oxoethylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate structure](/static/products/799/799800-41-2.png)
methyl (2E)-2-[(2E)-2-[1-cyano-2-(furan-2-ylmethylamino)-2-oxoethylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate
TL;DR: methyl (2E)-2-[(2E)-2-[1-cyano-2-(furan-2-ylmethylamino)-2-oxoethylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate (CAS 799800-41-2) is a chemical compound with molecular formula C20H15N3O5S and molecular weight 409.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2E)-2-[(2E)-2-[1-cyano-2-(furan-2-ylmethylamino)-2-oxoethylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate
Also Known As: methyl (2E)-2-[(2E)-2-[1-cyano-2-(furan-2-ylmethylamino)-2-oxoethylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate, (2E)-2-[(2E)-2-[1-cyano-2-(2-furanylmethylamino)-2-oxoethylidene]-4-oxo-3-phenyl-5-thiazolidinylidene]acetic acid methyl ester, (2E)-2-[(2E)-2-[1-cyano-2-(2-furfurylamino)-2-keto-ethylidene]-4-keto-3-phenyl-thiazolidin-5-ylidene]acetic acid methyl ester, (E)-methyl 2-((E)-2-(1-cyano-2-((furan-2-ylmethyl)amino)-2-oxoethylidene)-4-oxo-3-phenylthiazolidin-5-ylidene)acetate, methyl (2E)-2-[(2E)-2-[1-cyano-2-(furan-2-ylmethylamino)-2-oxidanylidene-ethylidene]-4-oxidanylidene-3-phenyl-1,3-thiazolidin-5-ylidene]ethanoate
| Molecular Formula | C20H15N3O5S |
|---|---|
| Molecular Weight | 409.07 g/mol |
| LogP | 0.43618 |
| Topological Polar Surface Area | 114.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 409.07324 |
| Heavy Atoms | 29 |
| Complexity | 1248.1687 |
Chemical Identifiers
| CAS Number | 799800-41-2 |
|---|---|
| SMILES | COC(=O)/C=C/1\C(=O)N(/C(=C(/C#N)\C(=O)NCC2=CC=CO2)/S1)C3=CC=CC=C3 |
Product Overview
methyl (2E)-2-[(2E)-2-[1-cyano-2-(furan-2-ylmethylamino)-2-oxoethylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate (CAS 799800-41-2), with molecular formula C20H15N3O5S and molecular weight 409.07 g/mol. IUPAC: methyl (2E)-2-[(2E)-2-[1-cyano-2-(furan-2-ylmethylamino)-2-oxoethylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate.
Chemical Property Profile of methyl (2E)-2-[(2E)-2-[1-cyano-2-(furan-2-ylmethylamino)-2-oxoethylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate
Property Insights of methyl (2E)-2-[(2E)-2-[1-cyano-2-(furan-2-ylmethylamino)-2-oxoethylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate
The XLogP value of 0.43618 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl (2E)-2-[(2E)-2-[1-cyano-2-(furan-2-ylmethylamino)-2-oxoethylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate. The TPSA of 114.33 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl (2E)-2-[(2E)-2-[1-cyano-2-(furan-2-ylmethylamino)-2-oxoethylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate. Following Lipinski's Rule of Five, methyl (2E)-2-[(2E)-2-[1-cyano-2-(furan-2-ylmethylamino)-2-oxoethylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate has 1 hydrogen bond donor(s) and 7 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 (2E)-2-[(2E)-2-[1-cyano-2-(furan-2-ylmethylamino)-2-oxoethylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate?
The CAS number of methyl (2E)-2-[(2E)-2-[1-cyano-2-(furan-2-ylmethylamino)-2-oxoethylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate is 799800-41-2.
What is the molecular formula of methyl (2E)-2-[(2E)-2-[1-cyano-2-(furan-2-ylmethylamino)-2-oxoethylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate?
The molecular formula of methyl (2E)-2-[(2E)-2-[1-cyano-2-(furan-2-ylmethylamino)-2-oxoethylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate is C20H15N3O5S.
What is the molecular weight of methyl (2E)-2-[(2E)-2-[1-cyano-2-(furan-2-ylmethylamino)-2-oxoethylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate?
The molecular weight of methyl (2E)-2-[(2E)-2-[1-cyano-2-(furan-2-ylmethylamino)-2-oxoethylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate is 409.07 g/mol.
Where can I buy methyl (2E)-2-[(2E)-2-[1-cyano-2-(furan-2-ylmethylamino)-2-oxoethylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate?
You can request a quote for methyl (2E)-2-[(2E)-2-[1-cyano-2-(furan-2-ylmethylamino)-2-oxoethylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl (2E)-2-[(2E)-2-[1-cyano-2-(furan-2-ylmethylamino)-2-oxoethylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl (2E)-2-[(2E)-2-[1-cyano-2-(furan-2-ylmethylamino)-2-oxoethylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.