2-((2,4-Dinitrophenyl)thio)-4(3H)-pyrimidinone
TL;DR: 2-((2,4-Dinitrophenyl)thio)-4(3H)-pyrimidinone (CAS 73773-48-5) is a chemical compound with molecular formula C10H6N4O5S and molecular weight 294.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,4-dinitrophenyl)sulfanyl-1H-pyrimidin-6-one
Also Known As: 2-((2,4-Dinitrophenyl)thio)-4(3H)-pyrimidinone, 2-(2,4-dinitrophenylthio)pyrimidin-4-ol, 2-(2,4-dinitrophenyl)sulfanyl-1H-pyrimidin-6-one, 2-[(2,4-dinitrophenyl)sulfanyl]pyrimidin-4(3h)-one, 4(3H)-Pyrimidinone, 2-[(2,4-dinitrophenyl)thio]-
| Molecular Formula | C10H6N4O5S |
|---|---|
| Molecular Weight | 294.01 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 158.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 294.0059 |
| Heavy Atoms | 20 |
| Complexity | 495.0 |
Chemical Identifiers
| CAS Number | 73773-48-5 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])SC2=NC=CC(=O)N2 |
| InChIKey | AVHZRVAXTRQUQB-UHFFFAOYSA-N |
Product Overview
2-((2,4-Dinitrophenyl)thio)-4(3H)-pyrimidinone (CAS 73773-48-5), with molecular formula C10H6N4O5S and molecular weight 294.01 g/mol. IUPAC: 2-(2,4-dinitrophenyl)sulfanyl-1H-pyrimidin-6-one.
Chemical Property Profile of 2-((2,4-Dinitrophenyl)thio)-4(3H)-pyrimidinone
Property Insights of 2-((2,4-Dinitrophenyl)thio)-4(3H)-pyrimidinone
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((2,4-Dinitrophenyl)thio)-4(3H)-pyrimidinone. The TPSA of 158.0 Ų indicates high polarity, suggesting 2-((2,4-Dinitrophenyl)thio)-4(3H)-pyrimidinone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-((2,4-Dinitrophenyl)thio)-4(3H)-pyrimidinone has 1 hydrogen bond donor(s) and 7 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-((2,4-Dinitrophenyl)thio)-4(3H)-pyrimidinone?
The CAS number of 2-((2,4-Dinitrophenyl)thio)-4(3H)-pyrimidinone is 73773-48-5.
What is the molecular formula of 2-((2,4-Dinitrophenyl)thio)-4(3H)-pyrimidinone?
The molecular formula of 2-((2,4-Dinitrophenyl)thio)-4(3H)-pyrimidinone is C10H6N4O5S.
What is the molecular weight of 2-((2,4-Dinitrophenyl)thio)-4(3H)-pyrimidinone?
The molecular weight of 2-((2,4-Dinitrophenyl)thio)-4(3H)-pyrimidinone is 294.01 g/mol.
Where can I buy 2-((2,4-Dinitrophenyl)thio)-4(3H)-pyrimidinone?
You can request a quote for 2-((2,4-Dinitrophenyl)thio)-4(3H)-pyrimidinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((2,4-Dinitrophenyl)thio)-4(3H)-pyrimidinone?
Yes, KEHONG BIO provides custom synthesis services for 2-((2,4-Dinitrophenyl)thio)-4(3H)-pyrimidinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.