![2-{[3-(2-fluoro-5-methylphenyl)-6-(4-methylphenyl)-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetonitrile structure](/static/products/4223/422306-02-3.webp)
2-{[3-(2-fluoro-5-methylphenyl)-6-(4-methylphenyl)-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetonitrile
TL;DR: 2-{[3-(2-fluoro-5-methylphenyl)-6-(4-methylphenyl)-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetonitrile (CAS 422306-02-3) is a chemical compound with molecular formula C21H15FN4OS3 and molecular weight 454.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-(2-fluoro-5-methylphenyl)-6-(4-methylphenyl)-7-oxo-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]acetonitrile
Also Known As: 2-{[3-(2-fluoro-5-methylphenyl)-6-(4-methylphenyl)-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetonitrile, F0916-5827, 2-((3-(2-fluoro-5-methylphenyl)-7-oxo-2-thioxo-6-(p-tolyl)-2,3,6,7-tetrahydrothiazolo[4,5-d]pyrimidin-5-yl)thio)acetonitrile, 2-[[3-(2-fluoro-5-methylphenyl)-6-(4-methylphenyl)-7-oxo-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]acetonitrile
| Molecular Formula | C21H15FN4OS3 |
|---|---|
| Molecular Weight | 454.04 g/mol |
| LogP | 5.33901 |
| Topological Polar Surface Area | 63.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 454.0392 |
| Heavy Atoms | 30 |
| Complexity | 1428.387 |
Chemical Identifiers
| CAS Number | 422306-02-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC#N)N(C(=S)S3)C4=C(C=CC(=C4)C)F |
Product Overview
2-{[3-(2-fluoro-5-methylphenyl)-6-(4-methylphenyl)-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetonitrile (CAS 422306-02-3), with molecular formula C21H15FN4OS3 and molecular weight 454.04 g/mol. IUPAC: 2-[[3-(2-fluoro-5-methylphenyl)-6-(4-methylphenyl)-7-oxo-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]acetonitrile.
Chemical Property Profile of 2-{[3-(2-fluoro-5-methylphenyl)-6-(4-methylphenyl)-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetonitrile
Property Insights of 2-{[3-(2-fluoro-5-methylphenyl)-6-(4-methylphenyl)-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetonitrile
The XLogP value of 5.33901 indicates that 2-{[3-(2-fluoro-5-methylphenyl)-6-(4-methylphenyl)-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.61 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[3-(2-fluoro-5-methylphenyl)-6-(4-methylphenyl)-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetonitrile. Following Lipinski's Rule of Five, 2-{[3-(2-fluoro-5-methylphenyl)-6-(4-methylphenyl)-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetonitrile has 0 hydrogen bond donor(s) and 6 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-(2-fluoro-5-methylphenyl)-6-(4-methylphenyl)-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetonitrile?
The CAS number of 2-{[3-(2-fluoro-5-methylphenyl)-6-(4-methylphenyl)-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetonitrile is 422306-02-3.
What is the molecular formula of 2-{[3-(2-fluoro-5-methylphenyl)-6-(4-methylphenyl)-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetonitrile?
The molecular formula of 2-{[3-(2-fluoro-5-methylphenyl)-6-(4-methylphenyl)-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetonitrile is C21H15FN4OS3.
What is the molecular weight of 2-{[3-(2-fluoro-5-methylphenyl)-6-(4-methylphenyl)-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetonitrile?
The molecular weight of 2-{[3-(2-fluoro-5-methylphenyl)-6-(4-methylphenyl)-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetonitrile is 454.04 g/mol.
Where can I buy 2-{[3-(2-fluoro-5-methylphenyl)-6-(4-methylphenyl)-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetonitrile?
You can request a quote for 2-{[3-(2-fluoro-5-methylphenyl)-6-(4-methylphenyl)-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[3-(2-fluoro-5-methylphenyl)-6-(4-methylphenyl)-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-{[3-(2-fluoro-5-methylphenyl)-6-(4-methylphenyl)-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.