(E)-3-cyclohexyl-2-(5-(4-fluorobenzyl)-4-oxothiazolidin-2-ylidene)-3-oxopropanenitrile
TL;DR: (E)-3-cyclohexyl-2-(5-(4-fluorobenzyl)-4-oxothiazolidin-2-ylidene)-3-oxopropanenitrile (CAS 799809-98-6) is a chemical compound with molecular formula C19H19FN2O2S and molecular weight 358.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-3-cyclohexyl-2-[5-[(4-fluorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxopropanenitrile
Also Known As: (E)-3-cyclohexyl-2-(5-(4-fluorobenzyl)-4-oxothiazolidin-2-ylidene)-3-oxopropanenitrile, (2E)-3-cyclohexyl-2-[5-(4-fluorobenzyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxopropanenitrile, (2E)-3-cyclohexyl-2-[5-[(4-fluorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxopropanenitrile, 3-cyclohexyl-2-{5-[(4-fluorophenyl)methyl]-4-oxo(1,3-thiazolidin-2-ylidene)}-3 -oxopropanenitrile
| Molecular Formula | C19H19FN2O2S |
|---|---|
| Molecular Weight | 358.12 g/mol |
| LogP | 3.48438 |
| Topological Polar Surface Area | 69.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 358.1151 |
| Heavy Atoms | 25 |
| Complexity | 745.68274 |
Chemical Identifiers
| CAS Number | 799809-98-6 |
|---|---|
| SMILES | C1CCC(CC1)C(=O)/C(=C/2\NC(=O)C(S2)CC3=CC=C(C=C3)F)/C#N |
Product Overview
(E)-3-cyclohexyl-2-(5-(4-fluorobenzyl)-4-oxothiazolidin-2-ylidene)-3-oxopropanenitrile (CAS 799809-98-6), with molecular formula C19H19FN2O2S and molecular weight 358.12 g/mol. IUPAC: (2E)-3-cyclohexyl-2-[5-[(4-fluorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxopropanenitrile.
Chemical Property Profile of (E)-3-cyclohexyl-2-(5-(4-fluorobenzyl)-4-oxothiazolidin-2-ylidene)-3-oxopropanenitrile
Property Insights of (E)-3-cyclohexyl-2-(5-(4-fluorobenzyl)-4-oxothiazolidin-2-ylidene)-3-oxopropanenitrile
The XLogP value of 3.48438 indicates that (E)-3-cyclohexyl-2-(5-(4-fluorobenzyl)-4-oxothiazolidin-2-ylidene)-3-oxopropanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.96 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-cyclohexyl-2-(5-(4-fluorobenzyl)-4-oxothiazolidin-2-ylidene)-3-oxopropanenitrile. Following Lipinski's Rule of Five, (E)-3-cyclohexyl-2-(5-(4-fluorobenzyl)-4-oxothiazolidin-2-ylidene)-3-oxopropanenitrile has 1 hydrogen bond donor(s) and 4 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)-3-cyclohexyl-2-(5-(4-fluorobenzyl)-4-oxothiazolidin-2-ylidene)-3-oxopropanenitrile?
The CAS number of (E)-3-cyclohexyl-2-(5-(4-fluorobenzyl)-4-oxothiazolidin-2-ylidene)-3-oxopropanenitrile is 799809-98-6.
What is the molecular formula of (E)-3-cyclohexyl-2-(5-(4-fluorobenzyl)-4-oxothiazolidin-2-ylidene)-3-oxopropanenitrile?
The molecular formula of (E)-3-cyclohexyl-2-(5-(4-fluorobenzyl)-4-oxothiazolidin-2-ylidene)-3-oxopropanenitrile is C19H19FN2O2S.
What is the molecular weight of (E)-3-cyclohexyl-2-(5-(4-fluorobenzyl)-4-oxothiazolidin-2-ylidene)-3-oxopropanenitrile?
The molecular weight of (E)-3-cyclohexyl-2-(5-(4-fluorobenzyl)-4-oxothiazolidin-2-ylidene)-3-oxopropanenitrile is 358.12 g/mol.
Where can I buy (E)-3-cyclohexyl-2-(5-(4-fluorobenzyl)-4-oxothiazolidin-2-ylidene)-3-oxopropanenitrile?
You can request a quote for (E)-3-cyclohexyl-2-(5-(4-fluorobenzyl)-4-oxothiazolidin-2-ylidene)-3-oxopropanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-cyclohexyl-2-(5-(4-fluorobenzyl)-4-oxothiazolidin-2-ylidene)-3-oxopropanenitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-cyclohexyl-2-(5-(4-fluorobenzyl)-4-oxothiazolidin-2-ylidene)-3-oxopropanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.