8J-538S
TL;DR: 8J-538S (CAS 339101-93-8) is a chemical compound with molecular formula C10H11F3N2O3S and molecular weight 296.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[1-methyl-6-oxo-4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetate
Also Known As: 8J-538S, Ethyl 2-((1-methyl-6-oxo-4-(trifluoromethyl)-1,6-Dihydro-2-pyrimidinyl)sulfanyl)acetate, ethyl 2-[1-methyl-6-oxo-4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetate, ethyl 2-{[1-methyl-6-oxo-4-(trifluoromethyl)-1,6-dihydro-2-pyrimidinyl]sulfanyl}acetate, ethyl 2-{[1-methyl-6-oxo-4-(trifluoromethyl)-1,6-dihydropyrimidin-2-yl]sulfanyl}acetate
| Molecular Formula | C10H11F3N2O3S |
|---|---|
| Molecular Weight | 296.04 g/mol |
| LogP | 1.4543 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 296.04425 |
| Heavy Atoms | 19 |
| Complexity | 527.7316 |
Chemical Identifiers
| CAS Number | 339101-93-8 |
|---|---|
| SMILES | CCOC(=O)CSC1=NC(=CC(=O)N1C)C(F)(F)F |
Product Overview
8J-538S (CAS 339101-93-8), with molecular formula C10H11F3N2O3S and molecular weight 296.04 g/mol. IUPAC: ethyl 2-[1-methyl-6-oxo-4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetate.
Chemical Property Profile of 8J-538S
Property Insights of 8J-538S
The XLogP value of 1.4543 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8J-538S. The TPSA of 61.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 8J-538S. Following Lipinski's Rule of Five, 8J-538S has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 8J-538S?
The CAS number of 8J-538S is 339101-93-8.
What is the molecular formula of 8J-538S?
The molecular formula of 8J-538S is C10H11F3N2O3S.
What is the molecular weight of 8J-538S?
The molecular weight of 8J-538S is 296.04 g/mol.
Where can I buy 8J-538S?
You can request a quote for 8J-538S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8J-538S?
Yes, KEHONG BIO provides custom synthesis services for 8J-538S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.