![2-{[3-(4-ethoxyphenyl)-6-(4-fluorophenyl)-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N,N-diethylacetamide structure](/static/products/4222/422299-90-9.webp)
2-{[3-(4-ethoxyphenyl)-6-(4-fluorophenyl)-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N,N-diethylacetamide
TL;DR: 2-{[3-(4-ethoxyphenyl)-6-(4-fluorophenyl)-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N,N-diethylacetamide (CAS 422299-90-9) is a chemical compound with molecular formula C25H25FN4O3S3 and molecular weight 544.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-(4-ethoxyphenyl)-6-(4-fluorophenyl)-7-oxo-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]-N,N-diethylacetamide
Also Known As: 2-{[3-(4-ethoxyphenyl)-6-(4-fluorophenyl)-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N,N-diethylacetamide, F0916-5422, 2-((3-(4-ethoxyphenyl)-6-(4-fluorophenyl)-7-oxo-2-thioxo-2,3,6,7-tetrahydrothiazolo[4,5-d]pyrimidin-5-yl)thio)-N,N-diethylacetamide, 2-[[3-(4-ethoxyphenyl)-6-(4-fluorophenyl)-7-oxo-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]-N,N-diethylacetamide
| Molecular Formula | C25H25FN4O3S3 |
|---|---|
| Molecular Weight | 544.11 g/mol |
| LogP | 5.46569 |
| Topological Polar Surface Area | 69.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 544.1073 |
| Heavy Atoms | 36 |
| Complexity | 1490.7509 |
Chemical Identifiers
| CAS Number | 422299-90-9 |
|---|---|
| SMILES | CCN(CC)C(=O)CSC1=NC2=C(C(=O)N1C3=CC=C(C=C3)F)SC(=S)N2C4=CC=C(C=C4)OCC |
Product Overview
2-{[3-(4-ethoxyphenyl)-6-(4-fluorophenyl)-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N,N-diethylacetamide (CAS 422299-90-9), with molecular formula C25H25FN4O3S3 and molecular weight 544.11 g/mol. IUPAC: 2-[[3-(4-ethoxyphenyl)-6-(4-fluorophenyl)-7-oxo-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]-N,N-diethylacetamide.
Chemical Property Profile of 2-{[3-(4-ethoxyphenyl)-6-(4-fluorophenyl)-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N,N-diethylacetamide
Property Insights of 2-{[3-(4-ethoxyphenyl)-6-(4-fluorophenyl)-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N,N-diethylacetamide
The XLogP value of 5.46569 indicates that 2-{[3-(4-ethoxyphenyl)-6-(4-fluorophenyl)-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N,N-diethylacetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.36 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[3-(4-ethoxyphenyl)-6-(4-fluorophenyl)-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N,N-diethylacetamide. Following Lipinski's Rule of Five, 2-{[3-(4-ethoxyphenyl)-6-(4-fluorophenyl)-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N,N-diethylacetamide has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-{[3-(4-ethoxyphenyl)-6-(4-fluorophenyl)-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N,N-diethylacetamide?
The CAS number of 2-{[3-(4-ethoxyphenyl)-6-(4-fluorophenyl)-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N,N-diethylacetamide is 422299-90-9.
What is the molecular formula of 2-{[3-(4-ethoxyphenyl)-6-(4-fluorophenyl)-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N,N-diethylacetamide?
The molecular formula of 2-{[3-(4-ethoxyphenyl)-6-(4-fluorophenyl)-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N,N-diethylacetamide is C25H25FN4O3S3.
What is the molecular weight of 2-{[3-(4-ethoxyphenyl)-6-(4-fluorophenyl)-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N,N-diethylacetamide?
The molecular weight of 2-{[3-(4-ethoxyphenyl)-6-(4-fluorophenyl)-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N,N-diethylacetamide is 544.11 g/mol.
Where can I buy 2-{[3-(4-ethoxyphenyl)-6-(4-fluorophenyl)-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N,N-diethylacetamide?
You can request a quote for 2-{[3-(4-ethoxyphenyl)-6-(4-fluorophenyl)-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N,N-diethylacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[3-(4-ethoxyphenyl)-6-(4-fluorophenyl)-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N,N-diethylacetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-{[3-(4-ethoxyphenyl)-6-(4-fluorophenyl)-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N,N-diethylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.