![methyl (2E)-[3-(4-fluorophenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)-5-oxo-2-thioxoimidazolidin-4-ylidene]ethanoate structure](/static/products/827/827002-01-7.png)
methyl (2E)-[3-(4-fluorophenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)-5-oxo-2-thioxoimidazolidin-4-ylidene]ethanoate
TL;DR: methyl (2E)-[3-(4-fluorophenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)-5-oxo-2-thioxoimidazolidin-4-ylidene]ethanoate (CAS 827002-01-7) is a chemical compound with molecular formula C20H14FN3O3S2 and molecular weight 427.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2E)-2-[3-(4-fluorophenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]acetate
Also Known As: methyl (2E)-[3-(4-fluorophenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)-5-oxo-2-thioxoimidazolidin-4-ylidene]ethanoate, (E)-methyl 2-(3-(4-fluorophenyl)-1-(6-methylbenzo[d]thiazol-2-yl)-5-oxo-2-thioxoimidazolidin-4-ylidene)acetate, methyl (2E)-2-[3-(4-fluorophenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]acetate, METHYL 2-[(4E)-3-(4-FLUOROPHENYL)-1-(6-METHYL-1,3-BENZOTHIAZOL-2-YL)-5-OXO-2-SULFANYLIDENEIMIDAZOLIDIN-4-YLIDENE]ACETATE, methyl 2-[3-(4-fluorophenyl)-1-(6-methylbenzothiazol-2-yl)-5-oxo-2-thioxo-1,3- diazolidin-4-ylidene]acetate
| Molecular Formula | C20H14FN3O3S2 |
|---|---|
| Molecular Weight | 427.05 g/mol |
| LogP | 3.93882 |
| Topological Polar Surface Area | 62.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 427.04605 |
| Heavy Atoms | 29 |
| Complexity | 1187.4045 |
Chemical Identifiers
| CAS Number | 827002-01-7 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N=C(S2)N3C(=O)/C(=C\C(=O)OC)/N(C3=S)C4=CC=C(C=C4)F |
Product Overview
methyl (2E)-[3-(4-fluorophenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)-5-oxo-2-thioxoimidazolidin-4-ylidene]ethanoate (CAS 827002-01-7), with molecular formula C20H14FN3O3S2 and molecular weight 427.05 g/mol. IUPAC: methyl (2E)-2-[3-(4-fluorophenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]acetate.
Chemical Property Profile of methyl (2E)-[3-(4-fluorophenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)-5-oxo-2-thioxoimidazolidin-4-ylidene]ethanoate
Property Insights of methyl (2E)-[3-(4-fluorophenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)-5-oxo-2-thioxoimidazolidin-4-ylidene]ethanoate
The XLogP value of 3.93882 indicates that methyl (2E)-[3-(4-fluorophenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)-5-oxo-2-thioxoimidazolidin-4-ylidene]ethanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.74 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl (2E)-[3-(4-fluorophenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)-5-oxo-2-thioxoimidazolidin-4-ylidene]ethanoate. Following Lipinski's Rule of Five, methyl (2E)-[3-(4-fluorophenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)-5-oxo-2-thioxoimidazolidin-4-ylidene]ethanoate has 0 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 (2E)-[3-(4-fluorophenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)-5-oxo-2-thioxoimidazolidin-4-ylidene]ethanoate?
The CAS number of methyl (2E)-[3-(4-fluorophenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)-5-oxo-2-thioxoimidazolidin-4-ylidene]ethanoate is 827002-01-7.
What is the molecular formula of methyl (2E)-[3-(4-fluorophenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)-5-oxo-2-thioxoimidazolidin-4-ylidene]ethanoate?
The molecular formula of methyl (2E)-[3-(4-fluorophenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)-5-oxo-2-thioxoimidazolidin-4-ylidene]ethanoate is C20H14FN3O3S2.
What is the molecular weight of methyl (2E)-[3-(4-fluorophenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)-5-oxo-2-thioxoimidazolidin-4-ylidene]ethanoate?
The molecular weight of methyl (2E)-[3-(4-fluorophenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)-5-oxo-2-thioxoimidazolidin-4-ylidene]ethanoate is 427.05 g/mol.
Where can I buy methyl (2E)-[3-(4-fluorophenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)-5-oxo-2-thioxoimidazolidin-4-ylidene]ethanoate?
You can request a quote for methyl (2E)-[3-(4-fluorophenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)-5-oxo-2-thioxoimidazolidin-4-ylidene]ethanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl (2E)-[3-(4-fluorophenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)-5-oxo-2-thioxoimidazolidin-4-ylidene]ethanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl (2E)-[3-(4-fluorophenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)-5-oxo-2-thioxoimidazolidin-4-ylidene]ethanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.