![ethyl 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}acetate structure](/static/products/4222/422299-83-0.webp)
ethyl 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}acetate
TL;DR: ethyl 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}acetate (CAS 422299-83-0) is a chemical compound with molecular formula C23H20FN3O4S3 and molecular weight 517.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[3-(4-ethoxyphenyl)-6-(4-fluorophenyl)-7-oxo-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]acetate
Also Known As: ethyl 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}acetate, F0916-5417, ethyl 2-((3-(4-ethoxyphenyl)-6-(4-fluorophenyl)-7-oxo-2-thioxo-2,3,6,7-tetrahydrothiazolo[4,5-d]pyrimidin-5-yl)thio)acetate, ethyl 2-[[3-(4-ethoxyphenyl)-6-(4-fluorophenyl)-7-oxo-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]acetate
| Molecular Formula | C23H20FN3O4S3 |
|---|---|
| Molecular Weight | 517.06 g/mol |
| LogP | 5.16039 |
| Topological Polar Surface Area | 75.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 517.06 |
| Heavy Atoms | 34 |
| Complexity | 1444.0847 |
Chemical Identifiers
| CAS Number | 422299-83-0 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C3=C(C(=O)N(C(=N3)SCC(=O)OCC)C4=CC=C(C=C4)F)SC2=S |
Product Overview
ethyl 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}acetate (CAS 422299-83-0), with molecular formula C23H20FN3O4S3 and molecular weight 517.06 g/mol. IUPAC: ethyl 2-[[3-(4-ethoxyphenyl)-6-(4-fluorophenyl)-7-oxo-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]acetate.
Chemical Property Profile of ethyl 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}acetate
Property Insights of ethyl 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}acetate
The XLogP value of 5.16039 indicates that ethyl 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}acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.35 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 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}acetate. Following Lipinski's Rule of Five, ethyl 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}acetate has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 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}acetate?
The CAS number of ethyl 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}acetate is 422299-83-0.
What is the molecular formula of ethyl 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}acetate?
The molecular formula of ethyl 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}acetate is C23H20FN3O4S3.
What is the molecular weight of ethyl 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}acetate?
The molecular weight of ethyl 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}acetate is 517.06 g/mol.
Where can I buy ethyl 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}acetate?
You can request a quote for ethyl 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}acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 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}acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 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}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.