![3-(4-ethoxyphenyl)-6-(4-fluorophenyl)-5-{[(pyridin-3-yl)methyl]sulfanyl}-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one structure](/static/products/4222/422299-86-3.webp)
3-(4-ethoxyphenyl)-6-(4-fluorophenyl)-5-{[(pyridin-3-yl)methyl]sulfanyl}-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
TL;DR: 3-(4-ethoxyphenyl)-6-(4-fluorophenyl)-5-{[(pyridin-3-yl)methyl]sulfanyl}-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one (CAS 422299-86-3) is a chemical compound with molecular formula C25H19FN4O2S3 and molecular weight 522.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-ethoxyphenyl)-6-(4-fluorophenyl)-5-(pyridin-3-ylmethylsulfanyl)-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one
Also Known As: 3-(4-ethoxyphenyl)-6-(4-fluorophenyl)-5-{[(pyridin-3-yl)methyl]sulfanyl}-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one, F0916-5420, 3-(4-ethoxyphenyl)-6-(4-fluorophenyl)-5-((pyridin-3-ylmethyl)thio)-2-thioxo-2,3-dihydrothiazolo[4,5-d]pyrimidin-7(6H)-one, 3-(4-ethoxyphenyl)-6-(4-fluorophenyl)-5-(pyridin-3-ylmethylsulfanyl)-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one
| Molecular Formula | C25H19FN4O2S3 |
|---|---|
| Molecular Weight | 522.07 g/mol |
| LogP | 6.19249 |
| Topological Polar Surface Area | 61.94 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 522.0654 |
| Heavy Atoms | 35 |
| Complexity | 1595.408 |
Chemical Identifiers
| CAS Number | 422299-86-3 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C3=C(C(=O)N(C(=N3)SCC4=CN=CC=C4)C5=CC=C(C=C5)F)SC2=S |
Product Overview
3-(4-ethoxyphenyl)-6-(4-fluorophenyl)-5-{[(pyridin-3-yl)methyl]sulfanyl}-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one (CAS 422299-86-3), with molecular formula C25H19FN4O2S3 and molecular weight 522.07 g/mol. IUPAC: 3-(4-ethoxyphenyl)-6-(4-fluorophenyl)-5-(pyridin-3-ylmethylsulfanyl)-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one.
Chemical Property Profile of 3-(4-ethoxyphenyl)-6-(4-fluorophenyl)-5-{[(pyridin-3-yl)methyl]sulfanyl}-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
Property Insights of 3-(4-ethoxyphenyl)-6-(4-fluorophenyl)-5-{[(pyridin-3-yl)methyl]sulfanyl}-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
The XLogP value of 6.19249 indicates that 3-(4-ethoxyphenyl)-6-(4-fluorophenyl)-5-{[(pyridin-3-yl)methyl]sulfanyl}-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 61.94 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-ethoxyphenyl)-6-(4-fluorophenyl)-5-{[(pyridin-3-yl)methyl]sulfanyl}-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one. Following Lipinski's Rule of Five, 3-(4-ethoxyphenyl)-6-(4-fluorophenyl)-5-{[(pyridin-3-yl)methyl]sulfanyl}-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 3-(4-ethoxyphenyl)-6-(4-fluorophenyl)-5-{[(pyridin-3-yl)methyl]sulfanyl}-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
The CAS number of 3-(4-ethoxyphenyl)-6-(4-fluorophenyl)-5-{[(pyridin-3-yl)methyl]sulfanyl}-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one is 422299-86-3.
What is the molecular formula of 3-(4-ethoxyphenyl)-6-(4-fluorophenyl)-5-{[(pyridin-3-yl)methyl]sulfanyl}-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
The molecular formula of 3-(4-ethoxyphenyl)-6-(4-fluorophenyl)-5-{[(pyridin-3-yl)methyl]sulfanyl}-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one is C25H19FN4O2S3.
What is the molecular weight of 3-(4-ethoxyphenyl)-6-(4-fluorophenyl)-5-{[(pyridin-3-yl)methyl]sulfanyl}-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
The molecular weight of 3-(4-ethoxyphenyl)-6-(4-fluorophenyl)-5-{[(pyridin-3-yl)methyl]sulfanyl}-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one is 522.07 g/mol.
Where can I buy 3-(4-ethoxyphenyl)-6-(4-fluorophenyl)-5-{[(pyridin-3-yl)methyl]sulfanyl}-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
You can request a quote for 3-(4-ethoxyphenyl)-6-(4-fluorophenyl)-5-{[(pyridin-3-yl)methyl]sulfanyl}-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 3-(4-ethoxyphenyl)-6-(4-fluorophenyl)-5-{[(pyridin-3-yl)methyl]sulfanyl}-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-ethoxyphenyl)-6-(4-fluorophenyl)-5-{[(pyridin-3-yl)methyl]sulfanyl}-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.