(E)-2-(3-(4-bromophenyl)-5-ethyl-4-oxothiazolidin-2-ylidene)-2-cyano-N-(furan-2-ylmethyl)acetamide
TL;DR: (E)-2-(3-(4-bromophenyl)-5-ethyl-4-oxothiazolidin-2-ylidene)-2-cyano-N-(furan-2-ylmethyl)acetamide (CAS 1164557-41-8) is a chemical compound with molecular formula C19H16BrN3O3S and molecular weight 445.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-2-[3-(4-bromophenyl)-5-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(furan-2-ylmethyl)acetamide
Also Known As: (E)-2-(3-(4-bromophenyl)-5-ethyl-4-oxothiazolidin-2-ylidene)-2-cyano-N-(furan-2-ylmethyl)acetamide, VU0608070-1, (2E)-2-[3-(4-bromophenyl)-5-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(furan-2-ylmethyl)acetamide, 2-[(2E)-3-(4-bromophenyl)-5-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-[(furan-2-yl)methyl]acetamide, (2E)-2-[3-(4-bromophenyl)-5-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(furan-2-ylmethyl)ethanamide
| Molecular Formula | C19H16BrN3O3S |
|---|---|
| Molecular Weight | 445.01 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 445.00958 |
| Heavy Atoms | 27 |
| Complexity | 666.0 |
Chemical Identifiers
| CAS Number | 1164557-41-8 |
|---|---|
| SMILES | CCC1C(=O)N(/C(=C(/C#N)\C(=O)NCC2=CC=CO2)/S1)C3=CC=C(C=C3)Br |
| InChIKey | KGJKDPGICCIVAN-XDJHFCHBSA-N |
Product Overview
(E)-2-(3-(4-bromophenyl)-5-ethyl-4-oxothiazolidin-2-ylidene)-2-cyano-N-(furan-2-ylmethyl)acetamide (CAS 1164557-41-8), with molecular formula C19H16BrN3O3S and molecular weight 445.01 g/mol. IUPAC: (2E)-2-[3-(4-bromophenyl)-5-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(furan-2-ylmethyl)acetamide.
Chemical Property Profile of (E)-2-(3-(4-bromophenyl)-5-ethyl-4-oxothiazolidin-2-ylidene)-2-cyano-N-(furan-2-ylmethyl)acetamide
Property Insights of (E)-2-(3-(4-bromophenyl)-5-ethyl-4-oxothiazolidin-2-ylidene)-2-cyano-N-(furan-2-ylmethyl)acetamide
The XLogP value of 3.4 indicates that (E)-2-(3-(4-bromophenyl)-5-ethyl-4-oxothiazolidin-2-ylidene)-2-cyano-N-(furan-2-ylmethyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-(3-(4-bromophenyl)-5-ethyl-4-oxothiazolidin-2-ylidene)-2-cyano-N-(furan-2-ylmethyl)acetamide. Following Lipinski's Rule of Five, (E)-2-(3-(4-bromophenyl)-5-ethyl-4-oxothiazolidin-2-ylidene)-2-cyano-N-(furan-2-ylmethyl)acetamide has 1 hydrogen bond donor(s) and 5 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)-2-(3-(4-bromophenyl)-5-ethyl-4-oxothiazolidin-2-ylidene)-2-cyano-N-(furan-2-ylmethyl)acetamide?
The CAS number of (E)-2-(3-(4-bromophenyl)-5-ethyl-4-oxothiazolidin-2-ylidene)-2-cyano-N-(furan-2-ylmethyl)acetamide is 1164557-41-8.
What is the molecular formula of (E)-2-(3-(4-bromophenyl)-5-ethyl-4-oxothiazolidin-2-ylidene)-2-cyano-N-(furan-2-ylmethyl)acetamide?
The molecular formula of (E)-2-(3-(4-bromophenyl)-5-ethyl-4-oxothiazolidin-2-ylidene)-2-cyano-N-(furan-2-ylmethyl)acetamide is C19H16BrN3O3S.
What is the molecular weight of (E)-2-(3-(4-bromophenyl)-5-ethyl-4-oxothiazolidin-2-ylidene)-2-cyano-N-(furan-2-ylmethyl)acetamide?
The molecular weight of (E)-2-(3-(4-bromophenyl)-5-ethyl-4-oxothiazolidin-2-ylidene)-2-cyano-N-(furan-2-ylmethyl)acetamide is 445.01 g/mol.
Where can I buy (E)-2-(3-(4-bromophenyl)-5-ethyl-4-oxothiazolidin-2-ylidene)-2-cyano-N-(furan-2-ylmethyl)acetamide?
You can request a quote for (E)-2-(3-(4-bromophenyl)-5-ethyl-4-oxothiazolidin-2-ylidene)-2-cyano-N-(furan-2-ylmethyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-(3-(4-bromophenyl)-5-ethyl-4-oxothiazolidin-2-ylidene)-2-cyano-N-(furan-2-ylmethyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-(3-(4-bromophenyl)-5-ethyl-4-oxothiazolidin-2-ylidene)-2-cyano-N-(furan-2-ylmethyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.