![5-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-6-(2-methoxyphenyl)-3-(2-phenylethyl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one structure](/static/products/4223/422306-79-4.webp)
5-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-6-(2-methoxyphenyl)-3-(2-phenylethyl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
TL;DR: 5-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-6-(2-methoxyphenyl)-3-(2-phenylethyl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one (CAS 422306-79-4) is a chemical compound with molecular formula C28H22FN3O3S3 and molecular weight 563.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-6-(2-methoxyphenyl)-3-(2-phenylethyl)-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one
Also Known As: 5-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-6-(2-methoxyphenyl)-3-(2-phenylethyl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one, F0916-5887, 5-((2-(4-fluorophenyl)-2-oxoethyl)thio)-6-(2-methoxyphenyl)-3-phenethyl-2-thioxo-2,3-dihydrothiazolo[4,5-d]pyrimidin-7(6H)-one, 5-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-6-(2-methoxyphenyl)-3-(2-phenylethyl)-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one, 5-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-6-(2-methoxyphenyl)-3-phenethyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one
| Molecular Formula | C28H22FN3O3S3 |
|---|---|
| Molecular Weight | 563.08 g/mol |
| LogP | 6.34359 |
| Topological Polar Surface Area | 66.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 563.08075 |
| Heavy Atoms | 38 |
| Complexity | 1728.372 |
Chemical Identifiers
| CAS Number | 422306-79-4 |
|---|---|
| SMILES | COC1=CC=CC=C1N2C(=O)C3=C(N=C2SCC(=O)C4=CC=C(C=C4)F)N(C(=S)S3)CCC5=CC=CC=C5 |
Product Overview
5-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-6-(2-methoxyphenyl)-3-(2-phenylethyl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one (CAS 422306-79-4), with molecular formula C28H22FN3O3S3 and molecular weight 563.08 g/mol. IUPAC: 5-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-6-(2-methoxyphenyl)-3-(2-phenylethyl)-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one.
Chemical Property Profile of 5-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-6-(2-methoxyphenyl)-3-(2-phenylethyl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
Property Insights of 5-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-6-(2-methoxyphenyl)-3-(2-phenylethyl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
The XLogP value of 6.34359 indicates that 5-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-6-(2-methoxyphenyl)-3-(2-phenylethyl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-6-(2-methoxyphenyl)-3-(2-phenylethyl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one. Following Lipinski's Rule of Five, 5-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-6-(2-methoxyphenyl)-3-(2-phenylethyl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one 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 5-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-6-(2-methoxyphenyl)-3-(2-phenylethyl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
The CAS number of 5-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-6-(2-methoxyphenyl)-3-(2-phenylethyl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one is 422306-79-4.
What is the molecular formula of 5-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-6-(2-methoxyphenyl)-3-(2-phenylethyl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
The molecular formula of 5-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-6-(2-methoxyphenyl)-3-(2-phenylethyl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one is C28H22FN3O3S3.
What is the molecular weight of 5-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-6-(2-methoxyphenyl)-3-(2-phenylethyl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
The molecular weight of 5-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-6-(2-methoxyphenyl)-3-(2-phenylethyl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one is 563.08 g/mol.
Where can I buy 5-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-6-(2-methoxyphenyl)-3-(2-phenylethyl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
You can request a quote for 5-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-6-(2-methoxyphenyl)-3-(2-phenylethyl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-6-(2-methoxyphenyl)-3-(2-phenylethyl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
Yes, KEHONG BIO provides custom synthesis services for 5-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-6-(2-methoxyphenyl)-3-(2-phenylethyl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.