4(1H)-Pyrimidinone, 2-((2,4-dinitrophenyl)thio)-5-methyl-
TL;DR: 4(1H)-Pyrimidinone, 2-((2,4-dinitrophenyl)thio)-5-methyl- (CAS 73768-53-3) is a chemical compound with molecular formula C11H8N4O5S and molecular weight 308.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,4-dinitrophenyl)sulfanyl-5-methyl-1H-pyrimidin-6-one
Also Known As: 4(1H)-Pyrimidinone, 2-((2,4-dinitrophenyl)thio)-5-methyl-, 2-((2,4-Dinitrophenyl)thio)-5-methyl-4(1H)-pyrimidinone, 2-(2,4-dinitrophenyl)sulfanyl-5-methyl-1H-pyrimidin-6-one, 2-[(2,4-dinitrophenyl)sulfanyl]-5-methylpyrimidin-4(3H)-one
| Molecular Formula | C11H8N4O5S |
|---|---|
| Molecular Weight | 308.02 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 158.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 308.02155 |
| Heavy Atoms | 21 |
| Complexity | 536.0 |
Chemical Identifiers
| CAS Number | 73768-53-3 |
|---|---|
| SMILES | CC1=CN=C(NC1=O)SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | OCCQEEOIADEQJG-UHFFFAOYSA-N |
Product Overview
4(1H)-Pyrimidinone, 2-((2,4-dinitrophenyl)thio)-5-methyl- (CAS 73768-53-3), with molecular formula C11H8N4O5S and molecular weight 308.02 g/mol. IUPAC: 2-(2,4-dinitrophenyl)sulfanyl-5-methyl-1H-pyrimidin-6-one.
Chemical Property Profile of 4(1H)-Pyrimidinone, 2-((2,4-dinitrophenyl)thio)-5-methyl-
Property Insights of 4(1H)-Pyrimidinone, 2-((2,4-dinitrophenyl)thio)-5-methyl-
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4(1H)-Pyrimidinone, 2-((2,4-dinitrophenyl)thio)-5-methyl-. The TPSA of 158.0 Ų indicates high polarity, suggesting 4(1H)-Pyrimidinone, 2-((2,4-dinitrophenyl)thio)-5-methyl- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4(1H)-Pyrimidinone, 2-((2,4-dinitrophenyl)thio)-5-methyl- 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 4(1H)-Pyrimidinone, 2-((2,4-dinitrophenyl)thio)-5-methyl-?
The CAS number of 4(1H)-Pyrimidinone, 2-((2,4-dinitrophenyl)thio)-5-methyl- is 73768-53-3.
What is the molecular formula of 4(1H)-Pyrimidinone, 2-((2,4-dinitrophenyl)thio)-5-methyl-?
The molecular formula of 4(1H)-Pyrimidinone, 2-((2,4-dinitrophenyl)thio)-5-methyl- is C11H8N4O5S.
What is the molecular weight of 4(1H)-Pyrimidinone, 2-((2,4-dinitrophenyl)thio)-5-methyl-?
The molecular weight of 4(1H)-Pyrimidinone, 2-((2,4-dinitrophenyl)thio)-5-methyl- is 308.02 g/mol.
Where can I buy 4(1H)-Pyrimidinone, 2-((2,4-dinitrophenyl)thio)-5-methyl-?
You can request a quote for 4(1H)-Pyrimidinone, 2-((2,4-dinitrophenyl)thio)-5-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4(1H)-Pyrimidinone, 2-((2,4-dinitrophenyl)thio)-5-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 4(1H)-Pyrimidinone, 2-((2,4-dinitrophenyl)thio)-5-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.