![3-(2-methylphenyl)-5-{[(4-nitrophenyl)methyl]sulfanyl}-6-phenyl-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one structure](/static/products/4225/422525-58-4.webp)
3-(2-methylphenyl)-5-{[(4-nitrophenyl)methyl]sulfanyl}-6-phenyl-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
TL;DR: 3-(2-methylphenyl)-5-{[(4-nitrophenyl)methyl]sulfanyl}-6-phenyl-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one (CAS 422525-58-4) is a chemical compound with molecular formula C25H18N4O3S3 and molecular weight 518.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-methylphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-6-phenyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one
Also Known As: 3-(2-methylphenyl)-5-{[(4-nitrophenyl)methyl]sulfanyl}-6-phenyl-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one, F6548-4255, 3-(2-methylphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-6-phenyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one, 5-((4-nitrobenzyl)thio)-6-phenyl-2-thioxo-3-(o-tolyl)-2,3-dihydrothiazolo[4,5-d]pyrimidin-7(6H)-one
| Molecular Formula | C25H18N4O3S3 |
|---|---|
| Molecular Weight | 518.05 g/mol |
| LogP | 6.47631 |
| Topological Polar Surface Area | 82.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 518.0541 |
| Heavy Atoms | 35 |
| Complexity | 1673.101 |
Chemical Identifiers
| CAS Number | 422525-58-4 |
|---|---|
| SMILES | CC1=CC=CC=C1N2C3=C(C(=O)N(C(=N3)SCC4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5)SC2=S |
Product Overview
3-(2-methylphenyl)-5-{[(4-nitrophenyl)methyl]sulfanyl}-6-phenyl-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one (CAS 422525-58-4), with molecular formula C25H18N4O3S3 and molecular weight 518.05 g/mol. IUPAC: 3-(2-methylphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-6-phenyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one.
Chemical Property Profile of 3-(2-methylphenyl)-5-{[(4-nitrophenyl)methyl]sulfanyl}-6-phenyl-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
Property Insights of 3-(2-methylphenyl)-5-{[(4-nitrophenyl)methyl]sulfanyl}-6-phenyl-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
The XLogP value of 6.47631 indicates that 3-(2-methylphenyl)-5-{[(4-nitrophenyl)methyl]sulfanyl}-6-phenyl-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 82.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-methylphenyl)-5-{[(4-nitrophenyl)methyl]sulfanyl}-6-phenyl-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one. Following Lipinski's Rule of Five, 3-(2-methylphenyl)-5-{[(4-nitrophenyl)methyl]sulfanyl}-6-phenyl-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-(2-methylphenyl)-5-{[(4-nitrophenyl)methyl]sulfanyl}-6-phenyl-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
The CAS number of 3-(2-methylphenyl)-5-{[(4-nitrophenyl)methyl]sulfanyl}-6-phenyl-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one is 422525-58-4.
What is the molecular formula of 3-(2-methylphenyl)-5-{[(4-nitrophenyl)methyl]sulfanyl}-6-phenyl-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
The molecular formula of 3-(2-methylphenyl)-5-{[(4-nitrophenyl)methyl]sulfanyl}-6-phenyl-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one is C25H18N4O3S3.
What is the molecular weight of 3-(2-methylphenyl)-5-{[(4-nitrophenyl)methyl]sulfanyl}-6-phenyl-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
The molecular weight of 3-(2-methylphenyl)-5-{[(4-nitrophenyl)methyl]sulfanyl}-6-phenyl-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one is 518.05 g/mol.
Where can I buy 3-(2-methylphenyl)-5-{[(4-nitrophenyl)methyl]sulfanyl}-6-phenyl-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
You can request a quote for 3-(2-methylphenyl)-5-{[(4-nitrophenyl)methyl]sulfanyl}-6-phenyl-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-(2-methylphenyl)-5-{[(4-nitrophenyl)methyl]sulfanyl}-6-phenyl-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-methylphenyl)-5-{[(4-nitrophenyl)methyl]sulfanyl}-6-phenyl-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.