![6-Methoxy-2-[(pentafluorobenzyl)sulfanyl]pyrimidin-4-ol structure](/static/products/312/312926-51-5.png)
6-Methoxy-2-[(pentafluorobenzyl)sulfanyl]pyrimidin-4-ol
TL;DR: 6-Methoxy-2-[(pentafluorobenzyl)sulfanyl]pyrimidin-4-ol (CAS 312926-51-5) is a chemical compound with molecular formula C12H7F5N2O2S and molecular weight 338.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methoxy-2-[(2,3,4,5,6-pentafluorophenyl)methylsulfanyl]-1H-pyrimidin-6-one
Also Known As: 6-methoxy-2-[(pentafluorobenzyl)sulfanyl]pyrimidin-4-ol, 6-methoxy-2-[(pentafluorobenzyl)thio]-4(3H)-pyrimidinone, 6-methoxy-2-[(pentafluorobenzyl)sulfanyl]pyrimidin-4(3H)-one, 6-methoxy-2-(((perfluorophenyl)methyl)thio)pyrimidin-4(3H)-one, 6-methoxy-2-[(2,3,4,5,6-pentafluorobenzyl)sulfanyl]-4(3H)-pyrimidinone
| Molecular Formula | C12H7F5N2O2S |
|---|---|
| Molecular Weight | 338.01 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 76.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 338.01483 |
| Heavy Atoms | 22 |
| Complexity | 488.0 |
Chemical Identifiers
| CAS Number | 312926-51-5 |
|---|---|
| SMILES | COC1=CC(=O)NC(=N1)SCC2=C(C(=C(C(=C2F)F)F)F)F |
| InChIKey | AZSYFLAFIGEVKS-UHFFFAOYSA-N |
Product Overview
6-Methoxy-2-[(pentafluorobenzyl)sulfanyl]pyrimidin-4-ol (CAS 312926-51-5), with molecular formula C12H7F5N2O2S and molecular weight 338.01 g/mol. IUPAC: 4-methoxy-2-[(2,3,4,5,6-pentafluorophenyl)methylsulfanyl]-1H-pyrimidin-6-one.
Chemical Property Profile of 6-Methoxy-2-[(pentafluorobenzyl)sulfanyl]pyrimidin-4-ol
Property Insights of 6-Methoxy-2-[(pentafluorobenzyl)sulfanyl]pyrimidin-4-ol
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Methoxy-2-[(pentafluorobenzyl)sulfanyl]pyrimidin-4-ol. The TPSA of 76.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Methoxy-2-[(pentafluorobenzyl)sulfanyl]pyrimidin-4-ol. Following Lipinski's Rule of Five, 6-Methoxy-2-[(pentafluorobenzyl)sulfanyl]pyrimidin-4-ol has 1 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 6-Methoxy-2-[(pentafluorobenzyl)sulfanyl]pyrimidin-4-ol?
The CAS number of 6-Methoxy-2-[(pentafluorobenzyl)sulfanyl]pyrimidin-4-ol is 312926-51-5.
What is the molecular formula of 6-Methoxy-2-[(pentafluorobenzyl)sulfanyl]pyrimidin-4-ol?
The molecular formula of 6-Methoxy-2-[(pentafluorobenzyl)sulfanyl]pyrimidin-4-ol is C12H7F5N2O2S.
What is the molecular weight of 6-Methoxy-2-[(pentafluorobenzyl)sulfanyl]pyrimidin-4-ol?
The molecular weight of 6-Methoxy-2-[(pentafluorobenzyl)sulfanyl]pyrimidin-4-ol is 338.01 g/mol.
Where can I buy 6-Methoxy-2-[(pentafluorobenzyl)sulfanyl]pyrimidin-4-ol?
You can request a quote for 6-Methoxy-2-[(pentafluorobenzyl)sulfanyl]pyrimidin-4-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Methoxy-2-[(pentafluorobenzyl)sulfanyl]pyrimidin-4-ol?
Yes, KEHONG BIO provides custom synthesis services for 6-Methoxy-2-[(pentafluorobenzyl)sulfanyl]pyrimidin-4-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.