![3-(3,4-dimethylphenyl)-5-{[(1,3-dioxolan-2-yl)methyl]sulfanyl}-6-(2-fluorophenyl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one structure](/static/products/4222/422297-73-2.webp)
3-(3,4-dimethylphenyl)-5-{[(1,3-dioxolan-2-yl)methyl]sulfanyl}-6-(2-fluorophenyl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
TL;DR: 3-(3,4-dimethylphenyl)-5-{[(1,3-dioxolan-2-yl)methyl]sulfanyl}-6-(2-fluorophenyl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one (CAS 422297-73-2) is a chemical compound with molecular formula C23H20FN3O3S3 and molecular weight 501.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,4-dimethylphenyl)-5-(1,3-dioxolan-2-ylmethylsulfanyl)-6-(2-fluorophenyl)-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one
Also Known As: 3-(3,4-dimethylphenyl)-5-{[(1,3-dioxolan-2-yl)methyl]sulfanyl}-6-(2-fluorophenyl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one, F0916-5334, 3-(3,4-dimethylphenyl)-5-(1,3-dioxolan-2-ylmethylsulfanyl)-6-(2-fluorophenyl)-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one, 5-(((1,3-dioxolan-2-yl)methyl)thio)-3-(3,4-dimethylphenyl)-6-(2-fluorophenyl)-2-thioxo-2,3-dihydrothiazolo[4,5-d]pyrimidin-7(6H)-one
| Molecular Formula | C23H20FN3O3S3 |
|---|---|
| Molecular Weight | 501.07 g/mol |
| LogP | 5.18833 |
| Topological Polar Surface Area | 58.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 501.0651 |
| Heavy Atoms | 33 |
| Complexity | 1471.5663 |
Chemical Identifiers
| CAS Number | 422297-73-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2C3=C(C(=O)N(C(=N3)SCC4OCCO4)C5=CC=CC=C5F)SC2=S)C |
Product Overview
3-(3,4-dimethylphenyl)-5-{[(1,3-dioxolan-2-yl)methyl]sulfanyl}-6-(2-fluorophenyl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one (CAS 422297-73-2), with molecular formula C23H20FN3O3S3 and molecular weight 501.07 g/mol. IUPAC: 3-(3,4-dimethylphenyl)-5-(1,3-dioxolan-2-ylmethylsulfanyl)-6-(2-fluorophenyl)-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one.
Chemical Property Profile of 3-(3,4-dimethylphenyl)-5-{[(1,3-dioxolan-2-yl)methyl]sulfanyl}-6-(2-fluorophenyl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
Property Insights of 3-(3,4-dimethylphenyl)-5-{[(1,3-dioxolan-2-yl)methyl]sulfanyl}-6-(2-fluorophenyl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
The XLogP value of 5.18833 indicates that 3-(3,4-dimethylphenyl)-5-{[(1,3-dioxolan-2-yl)methyl]sulfanyl}-6-(2-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 58.28 Ų, 3-(3,4-dimethylphenyl)-5-{[(1,3-dioxolan-2-yl)methyl]sulfanyl}-6-(2-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, 3-(3,4-dimethylphenyl)-5-{[(1,3-dioxolan-2-yl)methyl]sulfanyl}-6-(2-fluorophenyl)-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-(3,4-dimethylphenyl)-5-{[(1,3-dioxolan-2-yl)methyl]sulfanyl}-6-(2-fluorophenyl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
The CAS number of 3-(3,4-dimethylphenyl)-5-{[(1,3-dioxolan-2-yl)methyl]sulfanyl}-6-(2-fluorophenyl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one is 422297-73-2.
What is the molecular formula of 3-(3,4-dimethylphenyl)-5-{[(1,3-dioxolan-2-yl)methyl]sulfanyl}-6-(2-fluorophenyl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
The molecular formula of 3-(3,4-dimethylphenyl)-5-{[(1,3-dioxolan-2-yl)methyl]sulfanyl}-6-(2-fluorophenyl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one is C23H20FN3O3S3.
What is the molecular weight of 3-(3,4-dimethylphenyl)-5-{[(1,3-dioxolan-2-yl)methyl]sulfanyl}-6-(2-fluorophenyl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
The molecular weight of 3-(3,4-dimethylphenyl)-5-{[(1,3-dioxolan-2-yl)methyl]sulfanyl}-6-(2-fluorophenyl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one is 501.07 g/mol.
Where can I buy 3-(3,4-dimethylphenyl)-5-{[(1,3-dioxolan-2-yl)methyl]sulfanyl}-6-(2-fluorophenyl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
You can request a quote for 3-(3,4-dimethylphenyl)-5-{[(1,3-dioxolan-2-yl)methyl]sulfanyl}-6-(2-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 3-(3,4-dimethylphenyl)-5-{[(1,3-dioxolan-2-yl)methyl]sulfanyl}-6-(2-fluorophenyl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,4-dimethylphenyl)-5-{[(1,3-dioxolan-2-yl)methyl]sulfanyl}-6-(2-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.