![5-{[(2-chlorophenyl)methyl]sulfanyl}-3-(4-ethylphenyl)-6-(4-fluorophenyl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one structure](/static/products/4223/422306-19-2.webp)
5-{[(2-chlorophenyl)methyl]sulfanyl}-3-(4-ethylphenyl)-6-(4-fluorophenyl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
TL;DR: 5-{[(2-chlorophenyl)methyl]sulfanyl}-3-(4-ethylphenyl)-6-(4-fluorophenyl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one (CAS 422306-19-2) is a chemical compound with molecular formula C26H19ClFN3OS3 and molecular weight 539.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(2-chlorophenyl)methylsulfanyl]-3-(4-ethylphenyl)-6-(4-fluorophenyl)-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one
Also Known As: 5-{[(2-chlorophenyl)methyl]sulfanyl}-3-(4-ethylphenyl)-6-(4-fluorophenyl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one, F0916-5842, 5-((2-chlorobenzyl)thio)-3-(4-ethylphenyl)-6-(4-fluorophenyl)-2-thioxo-2,3-dihydrothiazolo[4,5-d]pyrimidin-7(6H)-one, 5-[(2-chlorophenyl)methylsulfanyl]-3-(4-ethylphenyl)-6-(4-fluorophenyl)-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one
| Molecular Formula | C26H19ClFN3OS3 |
|---|---|
| Molecular Weight | 539.04 g/mol |
| LogP | 7.61459 |
| Topological Polar Surface Area | 39.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 539.03625 |
| Heavy Atoms | 35 |
| Complexity | 1640.5857 |
Chemical Identifiers
| CAS Number | 422306-19-2 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)N2C3=C(C(=O)N(C(=N3)SCC4=CC=CC=C4Cl)C5=CC=C(C=C5)F)SC2=S |
Product Overview
5-{[(2-chlorophenyl)methyl]sulfanyl}-3-(4-ethylphenyl)-6-(4-fluorophenyl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one (CAS 422306-19-2), with molecular formula C26H19ClFN3OS3 and molecular weight 539.04 g/mol. IUPAC: 5-[(2-chlorophenyl)methylsulfanyl]-3-(4-ethylphenyl)-6-(4-fluorophenyl)-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one.
Chemical Property Profile of 5-{[(2-chlorophenyl)methyl]sulfanyl}-3-(4-ethylphenyl)-6-(4-fluorophenyl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
Property Insights of 5-{[(2-chlorophenyl)methyl]sulfanyl}-3-(4-ethylphenyl)-6-(4-fluorophenyl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
The XLogP value of 7.61459 indicates that 5-{[(2-chlorophenyl)methyl]sulfanyl}-3-(4-ethylphenyl)-6-(4-fluorophenyl)-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. With a topological polar surface area (TPSA) of 39.82 Ų, 5-{[(2-chlorophenyl)methyl]sulfanyl}-3-(4-ethylphenyl)-6-(4-fluorophenyl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-{[(2-chlorophenyl)methyl]sulfanyl}-3-(4-ethylphenyl)-6-(4-fluorophenyl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one has 0 hydrogen bond donor(s) and 5 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-chlorophenyl)methyl]sulfanyl}-3-(4-ethylphenyl)-6-(4-fluorophenyl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
The CAS number of 5-{[(2-chlorophenyl)methyl]sulfanyl}-3-(4-ethylphenyl)-6-(4-fluorophenyl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one is 422306-19-2.
What is the molecular formula of 5-{[(2-chlorophenyl)methyl]sulfanyl}-3-(4-ethylphenyl)-6-(4-fluorophenyl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
The molecular formula of 5-{[(2-chlorophenyl)methyl]sulfanyl}-3-(4-ethylphenyl)-6-(4-fluorophenyl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one is C26H19ClFN3OS3.
What is the molecular weight of 5-{[(2-chlorophenyl)methyl]sulfanyl}-3-(4-ethylphenyl)-6-(4-fluorophenyl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
The molecular weight of 5-{[(2-chlorophenyl)methyl]sulfanyl}-3-(4-ethylphenyl)-6-(4-fluorophenyl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one is 539.04 g/mol.
Where can I buy 5-{[(2-chlorophenyl)methyl]sulfanyl}-3-(4-ethylphenyl)-6-(4-fluorophenyl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
You can request a quote for 5-{[(2-chlorophenyl)methyl]sulfanyl}-3-(4-ethylphenyl)-6-(4-fluorophenyl)-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-chlorophenyl)methyl]sulfanyl}-3-(4-ethylphenyl)-6-(4-fluorophenyl)-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-chlorophenyl)methyl]sulfanyl}-3-(4-ethylphenyl)-6-(4-fluorophenyl)-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.