3-(4-fluorophenyl)-5-oxo-2-(4-oxo-1,3-thiazol-2-yl)-5-thiophen-2-ylpentanenitrile
TL;DR: 3-(4-fluorophenyl)-5-oxo-2-(4-oxo-1,3-thiazol-2-yl)-5-thiophen-2-ylpentanenitrile (CAS 896592-27-1) is a chemical compound with molecular formula C18H13FN2O2S2 and molecular weight 372.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-fluorophenyl)-5-oxo-2-(4-oxo-1,3-thiazol-2-yl)-5-thiophen-2-ylpentanenitrile
Also Known As: 3-(4-fluorophenyl)-5-oxo-2-(4-oxo-1,3-thiazol-2-yl)-5-thiophen-2-ylpentanenitrile, 3-(4-fluorophenyl)-5-oxo-2-(4-oxo-4,5-dihydro-1,3-thiazol-2-yl)-5-(thiophen-2-yl)pentanenitrile, 3-(4-fluorophenyl)-5-oxo-2-(4-oxo-4,5-dihydrothiazol-2-yl)-5-(thiophen-2-yl)pentanenitrile
| Molecular Formula | C18H13FN2O2S2 |
|---|---|
| Molecular Weight | 372.04 g/mol |
| LogP | 4.05548 |
| Topological Polar Surface Area | 70.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 372.04025 |
| Heavy Atoms | 25 |
| Complexity | 854.2013 |
Chemical Identifiers
| CAS Number | 896592-27-1 |
|---|---|
| SMILES | C1C(=O)N=C(S1)C(C#N)C(CC(=O)C2=CC=CS2)C3=CC=C(C=C3)F |
Product Overview
3-(4-fluorophenyl)-5-oxo-2-(4-oxo-1,3-thiazol-2-yl)-5-thiophen-2-ylpentanenitrile (CAS 896592-27-1), with molecular formula C18H13FN2O2S2 and molecular weight 372.04 g/mol. IUPAC: 3-(4-fluorophenyl)-5-oxo-2-(4-oxo-1,3-thiazol-2-yl)-5-thiophen-2-ylpentanenitrile.
Chemical Property Profile of 3-(4-fluorophenyl)-5-oxo-2-(4-oxo-1,3-thiazol-2-yl)-5-thiophen-2-ylpentanenitrile
Property Insights of 3-(4-fluorophenyl)-5-oxo-2-(4-oxo-1,3-thiazol-2-yl)-5-thiophen-2-ylpentanenitrile
The XLogP value of 4.05548 indicates that 3-(4-fluorophenyl)-5-oxo-2-(4-oxo-1,3-thiazol-2-yl)-5-thiophen-2-ylpentanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-fluorophenyl)-5-oxo-2-(4-oxo-1,3-thiazol-2-yl)-5-thiophen-2-ylpentanenitrile. Following Lipinski's Rule of Five, 3-(4-fluorophenyl)-5-oxo-2-(4-oxo-1,3-thiazol-2-yl)-5-thiophen-2-ylpentanenitrile has 0 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 3-(4-fluorophenyl)-5-oxo-2-(4-oxo-1,3-thiazol-2-yl)-5-thiophen-2-ylpentanenitrile?
The CAS number of 3-(4-fluorophenyl)-5-oxo-2-(4-oxo-1,3-thiazol-2-yl)-5-thiophen-2-ylpentanenitrile is 896592-27-1.
What is the molecular formula of 3-(4-fluorophenyl)-5-oxo-2-(4-oxo-1,3-thiazol-2-yl)-5-thiophen-2-ylpentanenitrile?
The molecular formula of 3-(4-fluorophenyl)-5-oxo-2-(4-oxo-1,3-thiazol-2-yl)-5-thiophen-2-ylpentanenitrile is C18H13FN2O2S2.
What is the molecular weight of 3-(4-fluorophenyl)-5-oxo-2-(4-oxo-1,3-thiazol-2-yl)-5-thiophen-2-ylpentanenitrile?
The molecular weight of 3-(4-fluorophenyl)-5-oxo-2-(4-oxo-1,3-thiazol-2-yl)-5-thiophen-2-ylpentanenitrile is 372.04 g/mol.
Where can I buy 3-(4-fluorophenyl)-5-oxo-2-(4-oxo-1,3-thiazol-2-yl)-5-thiophen-2-ylpentanenitrile?
You can request a quote for 3-(4-fluorophenyl)-5-oxo-2-(4-oxo-1,3-thiazol-2-yl)-5-thiophen-2-ylpentanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-fluorophenyl)-5-oxo-2-(4-oxo-1,3-thiazol-2-yl)-5-thiophen-2-ylpentanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-fluorophenyl)-5-oxo-2-(4-oxo-1,3-thiazol-2-yl)-5-thiophen-2-ylpentanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.