(E)-methyl 2-(3-(4-chlorophenyl)-5-oxo-1-(thiazol-2-yl)-2-thioxoimidazolidin-4-ylidene)acetate
TL;DR: (E)-methyl 2-(3-(4-chlorophenyl)-5-oxo-1-(thiazol-2-yl)-2-thioxoimidazolidin-4-ylidene)acetate (CAS 845903-20-0) is a chemical compound with molecular formula C15H10ClN3O3S2 and molecular weight 378.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2E)-2-[3-(4-chlorophenyl)-5-oxo-2-sulfanylidene-1-(1,3-thiazol-2-yl)imidazolidin-4-ylidene]acetate
Also Known As: (E)-methyl 2-(3-(4-chlorophenyl)-5-oxo-1-(thiazol-2-yl)-2-thioxoimidazolidin-4-ylidene)acetate, methyl (2E)-[3-(4-chlorophenyl)-5-oxo-1-(1,3-thiazol-2-yl)-2-thioxoimidazolidin-4-ylidene]ethanoate, methyl (2E)-2-[3-(4-chlorophenyl)-5-oxo-2-sulfanylidene-1-(1,3-thiazol-2-yl)imidazolidin-4-ylidene]acetate
| Molecular Formula | C15H10ClN3O3S2 |
|---|---|
| Molecular Weight | 378.99 g/mol |
| LogP | 2.9915 |
| Topological Polar Surface Area | 62.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 378.9852 |
| Heavy Atoms | 24 |
| Complexity | 834.159 |
Chemical Identifiers
| CAS Number | 845903-20-0 |
|---|---|
| SMILES | COC(=O)/C=C/1\C(=O)N(C(=S)N1C2=CC=C(C=C2)Cl)C3=NC=CS3 |
Product Overview
(E)-methyl 2-(3-(4-chlorophenyl)-5-oxo-1-(thiazol-2-yl)-2-thioxoimidazolidin-4-ylidene)acetate (CAS 845903-20-0), with molecular formula C15H10ClN3O3S2 and molecular weight 378.99 g/mol. IUPAC: methyl (2E)-2-[3-(4-chlorophenyl)-5-oxo-2-sulfanylidene-1-(1,3-thiazol-2-yl)imidazolidin-4-ylidene]acetate.
Chemical Property Profile of (E)-methyl 2-(3-(4-chlorophenyl)-5-oxo-1-(thiazol-2-yl)-2-thioxoimidazolidin-4-ylidene)acetate
Property Insights of (E)-methyl 2-(3-(4-chlorophenyl)-5-oxo-1-(thiazol-2-yl)-2-thioxoimidazolidin-4-ylidene)acetate
The XLogP value of 2.9915 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-methyl 2-(3-(4-chlorophenyl)-5-oxo-1-(thiazol-2-yl)-2-thioxoimidazolidin-4-ylidene)acetate. The TPSA of 62.74 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-methyl 2-(3-(4-chlorophenyl)-5-oxo-1-(thiazol-2-yl)-2-thioxoimidazolidin-4-ylidene)acetate. Following Lipinski's Rule of Five, (E)-methyl 2-(3-(4-chlorophenyl)-5-oxo-1-(thiazol-2-yl)-2-thioxoimidazolidin-4-ylidene)acetate 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 (E)-methyl 2-(3-(4-chlorophenyl)-5-oxo-1-(thiazol-2-yl)-2-thioxoimidazolidin-4-ylidene)acetate?
The CAS number of (E)-methyl 2-(3-(4-chlorophenyl)-5-oxo-1-(thiazol-2-yl)-2-thioxoimidazolidin-4-ylidene)acetate is 845903-20-0.
What is the molecular formula of (E)-methyl 2-(3-(4-chlorophenyl)-5-oxo-1-(thiazol-2-yl)-2-thioxoimidazolidin-4-ylidene)acetate?
The molecular formula of (E)-methyl 2-(3-(4-chlorophenyl)-5-oxo-1-(thiazol-2-yl)-2-thioxoimidazolidin-4-ylidene)acetate is C15H10ClN3O3S2.
What is the molecular weight of (E)-methyl 2-(3-(4-chlorophenyl)-5-oxo-1-(thiazol-2-yl)-2-thioxoimidazolidin-4-ylidene)acetate?
The molecular weight of (E)-methyl 2-(3-(4-chlorophenyl)-5-oxo-1-(thiazol-2-yl)-2-thioxoimidazolidin-4-ylidene)acetate is 378.99 g/mol.
Where can I buy (E)-methyl 2-(3-(4-chlorophenyl)-5-oxo-1-(thiazol-2-yl)-2-thioxoimidazolidin-4-ylidene)acetate?
You can request a quote for (E)-methyl 2-(3-(4-chlorophenyl)-5-oxo-1-(thiazol-2-yl)-2-thioxoimidazolidin-4-ylidene)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-methyl 2-(3-(4-chlorophenyl)-5-oxo-1-(thiazol-2-yl)-2-thioxoimidazolidin-4-ylidene)acetate?
Yes, KEHONG BIO provides custom synthesis services for (E)-methyl 2-(3-(4-chlorophenyl)-5-oxo-1-(thiazol-2-yl)-2-thioxoimidazolidin-4-ylidene)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.