![5-{[(1,3-dioxolan-2-yl)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/4222/422299-33-0.webp)
5-{[(1,3-dioxolan-2-yl)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-{[(1,3-dioxolan-2-yl)methyl]sulfanyl}-3-(4-ethylphenyl)-6-(4-fluorophenyl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one (CAS 422299-33-0) 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.
5-(1,3-dioxolan-2-ylmethylsulfanyl)-3-(4-ethylphenyl)-6-(4-fluorophenyl)-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one
Also Known As: 5-{[(1,3-dioxolan-2-yl)methyl]sulfanyl}-3-(4-ethylphenyl)-6-(4-fluorophenyl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one, F0916-5399, 5-(((1,3-dioxolan-2-yl)methyl)thio)-3-(4-ethylphenyl)-6-(4-fluorophenyl)-2-thioxo-2,3-dihydrothiazolo[4,5-d]pyrimidin-7(6H)-one, 5-(1,3-dioxolan-2-ylmethylsulfanyl)-3-(4-ethylphenyl)-6-(4-fluorophenyl)-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one
| Molecular Formula | C23H20FN3O3S3 |
|---|---|
| Molecular Weight | 501.07 g/mol |
| LogP | 5.13389 |
| Topological Polar Surface Area | 58.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 501.0651 |
| Heavy Atoms | 33 |
| Complexity | 1405.8988 |
Chemical Identifiers
| CAS Number | 422299-33-0 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)N2C3=C(C(=O)N(C(=N3)SCC4OCCO4)C5=CC=C(C=C5)F)SC2=S |
Product Overview
5-{[(1,3-dioxolan-2-yl)methyl]sulfanyl}-3-(4-ethylphenyl)-6-(4-fluorophenyl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one (CAS 422299-33-0), with molecular formula C23H20FN3O3S3 and molecular weight 501.07 g/mol. IUPAC: 5-(1,3-dioxolan-2-ylmethylsulfanyl)-3-(4-ethylphenyl)-6-(4-fluorophenyl)-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one.
Chemical Property Profile of 5-{[(1,3-dioxolan-2-yl)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-{[(1,3-dioxolan-2-yl)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 5.13389 indicates that 5-{[(1,3-dioxolan-2-yl)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 58.28 Ų, 5-{[(1,3-dioxolan-2-yl)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-{[(1,3-dioxolan-2-yl)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 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-{[(1,3-dioxolan-2-yl)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-{[(1,3-dioxolan-2-yl)methyl]sulfanyl}-3-(4-ethylphenyl)-6-(4-fluorophenyl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one is 422299-33-0.
What is the molecular formula of 5-{[(1,3-dioxolan-2-yl)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-{[(1,3-dioxolan-2-yl)methyl]sulfanyl}-3-(4-ethylphenyl)-6-(4-fluorophenyl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one is C23H20FN3O3S3.
What is the molecular weight of 5-{[(1,3-dioxolan-2-yl)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-{[(1,3-dioxolan-2-yl)methyl]sulfanyl}-3-(4-ethylphenyl)-6-(4-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 5-{[(1,3-dioxolan-2-yl)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-{[(1,3-dioxolan-2-yl)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-{[(1,3-dioxolan-2-yl)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-{[(1,3-dioxolan-2-yl)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.