(E)-methyl 2-((E)-2-(2-amino-1-cyano-2-oxoethylidene)-3-(4-bromophenyl)-4-oxothiazolidin-5-ylidene)acetate
TL;DR: (E)-methyl 2-((E)-2-(2-amino-1-cyano-2-oxoethylidene)-3-(4-bromophenyl)-4-oxothiazolidin-5-ylidene)acetate (CAS 853889-62-0) is a chemical compound with molecular formula C15H10BrN3O4S and molecular weight 406.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2E)-2-[(2E)-2-(2-amino-1-cyano-2-oxoethylidene)-3-(4-bromophenyl)-4-oxo-1,3-thiazolidin-5-ylidene]acetate
Also Known As: (E)-methyl 2-((E)-2-(2-amino-1-cyano-2-oxoethylidene)-3-(4-bromophenyl)-4-oxothiazolidin-5-ylidene)acetate, methyl (2E)-2-[(2E)-2-(2-amino-1-cyano-2-oxoethylidene)-3-(4-bromophenyl)-4-oxo-1,3-thiazolidin-5-ylidene]acetate
| Molecular Formula | C15H10BrN3O4S |
|---|---|
| Molecular Weight | 406.96 g/mol |
| LogP | -0.22542 |
| Topological Polar Surface Area | 115.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 406.95755 |
| Heavy Atoms | 24 |
| Complexity | 1028.6422 |
Chemical Identifiers
| CAS Number | 853889-62-0 |
|---|---|
| SMILES | COC(=O)/C=C/1\C(=O)N(/C(=C(/C#N)\C(=O)N)/S1)C2=CC=C(C=C2)Br |
Product Overview
(E)-methyl 2-((E)-2-(2-amino-1-cyano-2-oxoethylidene)-3-(4-bromophenyl)-4-oxothiazolidin-5-ylidene)acetate (CAS 853889-62-0), with molecular formula C15H10BrN3O4S and molecular weight 406.96 g/mol. IUPAC: methyl (2E)-2-[(2E)-2-(2-amino-1-cyano-2-oxoethylidene)-3-(4-bromophenyl)-4-oxo-1,3-thiazolidin-5-ylidene]acetate.
Chemical Property Profile of (E)-methyl 2-((E)-2-(2-amino-1-cyano-2-oxoethylidene)-3-(4-bromophenyl)-4-oxothiazolidin-5-ylidene)acetate
Property Insights of (E)-methyl 2-((E)-2-(2-amino-1-cyano-2-oxoethylidene)-3-(4-bromophenyl)-4-oxothiazolidin-5-ylidene)acetate
The XLogP value of -0.22542 indicates that (E)-methyl 2-((E)-2-(2-amino-1-cyano-2-oxoethylidene)-3-(4-bromophenyl)-4-oxothiazolidin-5-ylidene)acetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 115.18 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-methyl 2-((E)-2-(2-amino-1-cyano-2-oxoethylidene)-3-(4-bromophenyl)-4-oxothiazolidin-5-ylidene)acetate. Following Lipinski's Rule of Five, (E)-methyl 2-((E)-2-(2-amino-1-cyano-2-oxoethylidene)-3-(4-bromophenyl)-4-oxothiazolidin-5-ylidene)acetate 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 (E)-methyl 2-((E)-2-(2-amino-1-cyano-2-oxoethylidene)-3-(4-bromophenyl)-4-oxothiazolidin-5-ylidene)acetate?
The CAS number of (E)-methyl 2-((E)-2-(2-amino-1-cyano-2-oxoethylidene)-3-(4-bromophenyl)-4-oxothiazolidin-5-ylidene)acetate is 853889-62-0.
What is the molecular formula of (E)-methyl 2-((E)-2-(2-amino-1-cyano-2-oxoethylidene)-3-(4-bromophenyl)-4-oxothiazolidin-5-ylidene)acetate?
The molecular formula of (E)-methyl 2-((E)-2-(2-amino-1-cyano-2-oxoethylidene)-3-(4-bromophenyl)-4-oxothiazolidin-5-ylidene)acetate is C15H10BrN3O4S.
What is the molecular weight of (E)-methyl 2-((E)-2-(2-amino-1-cyano-2-oxoethylidene)-3-(4-bromophenyl)-4-oxothiazolidin-5-ylidene)acetate?
The molecular weight of (E)-methyl 2-((E)-2-(2-amino-1-cyano-2-oxoethylidene)-3-(4-bromophenyl)-4-oxothiazolidin-5-ylidene)acetate is 406.96 g/mol.
Where can I buy (E)-methyl 2-((E)-2-(2-amino-1-cyano-2-oxoethylidene)-3-(4-bromophenyl)-4-oxothiazolidin-5-ylidene)acetate?
You can request a quote for (E)-methyl 2-((E)-2-(2-amino-1-cyano-2-oxoethylidene)-3-(4-bromophenyl)-4-oxothiazolidin-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 (E)-methyl 2-((E)-2-(2-amino-1-cyano-2-oxoethylidene)-3-(4-bromophenyl)-4-oxothiazolidin-5-ylidene)acetate?
Yes, KEHONG BIO provides custom synthesis services for (E)-methyl 2-((E)-2-(2-amino-1-cyano-2-oxoethylidene)-3-(4-bromophenyl)-4-oxothiazolidin-5-ylidene)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.