![2-[2,6-Dinitro-4-(trifluoromethyl)phenylthio]pyrimidine-4,6-diol structure](/static/products/4015/401581-37-1.webp)
2-[2,6-Dinitro-4-(trifluoromethyl)phenylthio]pyrimidine-4,6-diol
TL;DR: 2-[2,6-Dinitro-4-(trifluoromethyl)phenylthio]pyrimidine-4,6-diol (CAS 401581-37-1) is a chemical compound with molecular formula C11H5F3N4O6S and molecular weight 377.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl-4-hydroxy-1H-pyrimidin-6-one
Also Known As: 2-[2,6-dinitro-4-(trifluoromethyl)phenylthio]pyrimidine-4,6-diol, 4(1H)-Pyrimidinone, 2-[[2,6-dinitro-4-(trifluoromethyl)phenyl]thio]-6-hydroxy-, 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl-4-hydroxy-1H-pyrimidin-6-one, 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl-6-hydroxy-3H-pyrimidin-4-one, 2-{[2,6-Dinitro-4-(trifluoromethyl)phenyl]sulfanyl}-6-hydroxypyrimidin-4(3H)-one
| Molecular Formula | C11H5F3N4O6S |
|---|---|
| Molecular Weight | 377.99 g/mol |
| LogP | 2.4619 |
| Topological Polar Surface Area | 152.26 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 377.9882 |
| Heavy Atoms | 25 |
| Complexity | 893.75793 |
Chemical Identifiers
| CAS Number | 401581-37-1 |
|---|---|
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])SC2=NC(=CC(=O)N2)O)[N+](=O)[O-])C(F)(F)F |
Product Overview
2-[2,6-Dinitro-4-(trifluoromethyl)phenylthio]pyrimidine-4,6-diol (CAS 401581-37-1), with molecular formula C11H5F3N4O6S and molecular weight 377.99 g/mol. IUPAC: 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl-4-hydroxy-1H-pyrimidin-6-one.
Chemical Property Profile of 2-[2,6-Dinitro-4-(trifluoromethyl)phenylthio]pyrimidine-4,6-diol
Property Insights of 2-[2,6-Dinitro-4-(trifluoromethyl)phenylthio]pyrimidine-4,6-diol
The XLogP value of 2.4619 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[2,6-Dinitro-4-(trifluoromethyl)phenylthio]pyrimidine-4,6-diol. The TPSA of 152.26 Ų indicates high polarity, suggesting 2-[2,6-Dinitro-4-(trifluoromethyl)phenylthio]pyrimidine-4,6-diol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-[2,6-Dinitro-4-(trifluoromethyl)phenylthio]pyrimidine-4,6-diol has 2 hydrogen bond donor(s) and 8 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 2-[2,6-Dinitro-4-(trifluoromethyl)phenylthio]pyrimidine-4,6-diol?
The CAS number of 2-[2,6-Dinitro-4-(trifluoromethyl)phenylthio]pyrimidine-4,6-diol is 401581-37-1.
What is the molecular formula of 2-[2,6-Dinitro-4-(trifluoromethyl)phenylthio]pyrimidine-4,6-diol?
The molecular formula of 2-[2,6-Dinitro-4-(trifluoromethyl)phenylthio]pyrimidine-4,6-diol is C11H5F3N4O6S.
What is the molecular weight of 2-[2,6-Dinitro-4-(trifluoromethyl)phenylthio]pyrimidine-4,6-diol?
The molecular weight of 2-[2,6-Dinitro-4-(trifluoromethyl)phenylthio]pyrimidine-4,6-diol is 377.99 g/mol.
Where can I buy 2-[2,6-Dinitro-4-(trifluoromethyl)phenylthio]pyrimidine-4,6-diol?
You can request a quote for 2-[2,6-Dinitro-4-(trifluoromethyl)phenylthio]pyrimidine-4,6-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[2,6-Dinitro-4-(trifluoromethyl)phenylthio]pyrimidine-4,6-diol?
Yes, KEHONG BIO provides custom synthesis services for 2-[2,6-Dinitro-4-(trifluoromethyl)phenylthio]pyrimidine-4,6-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.