![4-hydroxy-2-[(4-nitrophenyl)methylsulfanyl]-1H-pyrimidin-6-one structure](/static/products/3374/337488-32-1.webp)
4-hydroxy-2-[(4-nitrophenyl)methylsulfanyl]-1H-pyrimidin-6-one
TL;DR: 4-hydroxy-2-[(4-nitrophenyl)methylsulfanyl]-1H-pyrimidin-6-one (CAS 337488-32-1) is a chemical compound with molecular formula C11H9N3O4S and molecular weight 279.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-2-[(4-nitrophenyl)methylsulfanyl]-1H-pyrimidin-6-one
Also Known As: BAS 01290650, 2-((4-nitrobenzyl)thio)pyrimidine-4,6-diol, 2-(4-Nitro-benzylsulfanyl)-pyrimidine-4,6-diol, 2-[(4-nitrobenzyl)sulfanyl]pyrimidine-4,6-diol, 2-[(4-nitrophenyl)methylthio]pyrimidine-4,6-diol
| Molecular Formula | C11H9N3O4S |
|---|---|
| Molecular Weight | 279.03 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 133.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 279.03137 |
| Heavy Atoms | 19 |
| Complexity | 436.0 |
Chemical Identifiers
| CAS Number | 337488-32-1 |
|---|---|
| SMILES | C1=CC(=CC=C1CSC2=NC(=CC(=O)N2)O)[N+](=O)[O-] |
| InChIKey | XUCHLOGAECOZPC-UHFFFAOYSA-N |
Product Overview
4-hydroxy-2-[(4-nitrophenyl)methylsulfanyl]-1H-pyrimidin-6-one (CAS 337488-32-1), with molecular formula C11H9N3O4S and molecular weight 279.03 g/mol. IUPAC: 4-hydroxy-2-[(4-nitrophenyl)methylsulfanyl]-1H-pyrimidin-6-one.
Chemical Property Profile of 4-hydroxy-2-[(4-nitrophenyl)methylsulfanyl]-1H-pyrimidin-6-one
Property Insights of 4-hydroxy-2-[(4-nitrophenyl)methylsulfanyl]-1H-pyrimidin-6-one
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-hydroxy-2-[(4-nitrophenyl)methylsulfanyl]-1H-pyrimidin-6-one. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-hydroxy-2-[(4-nitrophenyl)methylsulfanyl]-1H-pyrimidin-6-one. Following Lipinski's Rule of Five, 4-hydroxy-2-[(4-nitrophenyl)methylsulfanyl]-1H-pyrimidin-6-one has 2 hydrogen bond donor(s) and 6 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 4-hydroxy-2-[(4-nitrophenyl)methylsulfanyl]-1H-pyrimidin-6-one?
The CAS number of 4-hydroxy-2-[(4-nitrophenyl)methylsulfanyl]-1H-pyrimidin-6-one is 337488-32-1.
What is the molecular formula of 4-hydroxy-2-[(4-nitrophenyl)methylsulfanyl]-1H-pyrimidin-6-one?
The molecular formula of 4-hydroxy-2-[(4-nitrophenyl)methylsulfanyl]-1H-pyrimidin-6-one is C11H9N3O4S.
What is the molecular weight of 4-hydroxy-2-[(4-nitrophenyl)methylsulfanyl]-1H-pyrimidin-6-one?
The molecular weight of 4-hydroxy-2-[(4-nitrophenyl)methylsulfanyl]-1H-pyrimidin-6-one is 279.03 g/mol.
Where can I buy 4-hydroxy-2-[(4-nitrophenyl)methylsulfanyl]-1H-pyrimidin-6-one?
You can request a quote for 4-hydroxy-2-[(4-nitrophenyl)methylsulfanyl]-1H-pyrimidin-6-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-hydroxy-2-[(4-nitrophenyl)methylsulfanyl]-1H-pyrimidin-6-one?
Yes, KEHONG BIO provides custom synthesis services for 4-hydroxy-2-[(4-nitrophenyl)methylsulfanyl]-1H-pyrimidin-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.