Pyrimidin-4-one, 1,4-dihydro-6-hydroxy-2-pentafluorobenzylthio-
TL;DR: Pyrimidin-4-one, 1,4-dihydro-6-hydroxy-2-pentafluorobenzylthio- (CAS 331950-87-9) is a chemical compound with molecular formula C11H5F5N2O2S and molecular weight 324.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-2-[(2,3,4,5,6-pentafluorophenyl)methylsulfanyl]-1H-pyrimidin-6-one
Also Known As: BAS 00666977, 2-[(pentafluorobenzyl)sulfanyl]pyrimidine-4,6-diol, 6-hydroxy-2-[(pentafluorobenzyl)thio]-4(3H)-pyrimidinone, 6-Hydroxy-2-pentafluorophenylmethylsulfanyl-3H-pyrimidin-4-one, 6-hydroxy-2-(((perfluorophenyl)methyl)thio)pyrimidin-4(3H)-one
| Molecular Formula | C11H5F5N2O2S |
|---|---|
| Molecular Weight | 324.00 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 323.99918 |
| Heavy Atoms | 21 |
| Complexity | 473.0 |
Chemical Identifiers
| CAS Number | 331950-87-9 |
|---|---|
| SMILES | C1=C(N=C(NC1=O)SCC2=C(C(=C(C(=C2F)F)F)F)F)O |
| InChIKey | DKAJVMMNZRXVHN-UHFFFAOYSA-N |
Product Overview
Pyrimidin-4-one, 1,4-dihydro-6-hydroxy-2-pentafluorobenzylthio- (CAS 331950-87-9), with molecular formula C11H5F5N2O2S and molecular weight 324.00 g/mol. IUPAC: 4-hydroxy-2-[(2,3,4,5,6-pentafluorophenyl)methylsulfanyl]-1H-pyrimidin-6-one.
Chemical Property Profile of Pyrimidin-4-one, 1,4-dihydro-6-hydroxy-2-pentafluorobenzylthio-
Property Insights of Pyrimidin-4-one, 1,4-dihydro-6-hydroxy-2-pentafluorobenzylthio-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrimidin-4-one, 1,4-dihydro-6-hydroxy-2-pentafluorobenzylthio-. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrimidin-4-one, 1,4-dihydro-6-hydroxy-2-pentafluorobenzylthio-. Following Lipinski's Rule of Five, Pyrimidin-4-one, 1,4-dihydro-6-hydroxy-2-pentafluorobenzylthio- has 2 hydrogen bond donor(s) and 9 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 Pyrimidin-4-one, 1,4-dihydro-6-hydroxy-2-pentafluorobenzylthio-?
The CAS number of Pyrimidin-4-one, 1,4-dihydro-6-hydroxy-2-pentafluorobenzylthio- is 331950-87-9.
What is the molecular formula of Pyrimidin-4-one, 1,4-dihydro-6-hydroxy-2-pentafluorobenzylthio-?
The molecular formula of Pyrimidin-4-one, 1,4-dihydro-6-hydroxy-2-pentafluorobenzylthio- is C11H5F5N2O2S.
What is the molecular weight of Pyrimidin-4-one, 1,4-dihydro-6-hydroxy-2-pentafluorobenzylthio-?
The molecular weight of Pyrimidin-4-one, 1,4-dihydro-6-hydroxy-2-pentafluorobenzylthio- is 324.00 g/mol.
Where can I buy Pyrimidin-4-one, 1,4-dihydro-6-hydroxy-2-pentafluorobenzylthio-?
You can request a quote for Pyrimidin-4-one, 1,4-dihydro-6-hydroxy-2-pentafluorobenzylthio- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrimidin-4-one, 1,4-dihydro-6-hydroxy-2-pentafluorobenzylthio-?
Yes, KEHONG BIO provides custom synthesis services for Pyrimidin-4-one, 1,4-dihydro-6-hydroxy-2-pentafluorobenzylthio- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.