Pyrimidine, 2-((3,5-dinitro-4-pyridinyl)thio)-
TL;DR: Pyrimidine, 2-((3,5-dinitro-4-pyridinyl)thio)- (CAS 73768-52-2) is a chemical compound with molecular formula C9H5N5O4S and molecular weight 279.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3,5-dinitro-4-pyridinyl)sulfanyl]pyrimidine
Also Known As: Pyrimidine, 2-((3,5-dinitro-4-pyridinyl)thio)-, 2-((3,5-dinitropyridin-4-yl)thio)pyrimidine, 2-(3,5-dinitropyridin-4-yl)sulfanylpyrimidine, 2-[(3,5-dinitropyridin-4-yl)sulfanyl]pyrimidine, AJ-333/15478114
| Molecular Formula | C9H5N5O4S |
|---|---|
| Molecular Weight | 279.01 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 156.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 279.00623 |
| Heavy Atoms | 19 |
| Complexity | 318.0 |
Chemical Identifiers
| CAS Number | 73768-52-2 |
|---|---|
| SMILES | C1=CN=C(N=C1)SC2=C(C=NC=C2[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | RZCYURGPNIGSOA-UHFFFAOYSA-N |
Product Overview
Pyrimidine, 2-((3,5-dinitro-4-pyridinyl)thio)- (CAS 73768-52-2), with molecular formula C9H5N5O4S and molecular weight 279.01 g/mol. IUPAC: 2-[(3,5-dinitro-4-pyridinyl)sulfanyl]pyrimidine.
Chemical Property Profile of Pyrimidine, 2-((3,5-dinitro-4-pyridinyl)thio)-
Property Insights of Pyrimidine, 2-((3,5-dinitro-4-pyridinyl)thio)-
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrimidine, 2-((3,5-dinitro-4-pyridinyl)thio)-. The TPSA of 156.0 Ų indicates high polarity, suggesting Pyrimidine, 2-((3,5-dinitro-4-pyridinyl)thio)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pyrimidine, 2-((3,5-dinitro-4-pyridinyl)thio)- has 0 hydrogen bond donor(s) and 8 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 Pyrimidine, 2-((3,5-dinitro-4-pyridinyl)thio)-?
The CAS number of Pyrimidine, 2-((3,5-dinitro-4-pyridinyl)thio)- is 73768-52-2.
What is the molecular formula of Pyrimidine, 2-((3,5-dinitro-4-pyridinyl)thio)-?
The molecular formula of Pyrimidine, 2-((3,5-dinitro-4-pyridinyl)thio)- is C9H5N5O4S.
What is the molecular weight of Pyrimidine, 2-((3,5-dinitro-4-pyridinyl)thio)-?
The molecular weight of Pyrimidine, 2-((3,5-dinitro-4-pyridinyl)thio)- is 279.01 g/mol.
Where can I buy Pyrimidine, 2-((3,5-dinitro-4-pyridinyl)thio)-?
You can request a quote for Pyrimidine, 2-((3,5-dinitro-4-pyridinyl)thio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrimidine, 2-((3,5-dinitro-4-pyridinyl)thio)-?
Yes, KEHONG BIO provides custom synthesis services for Pyrimidine, 2-((3,5-dinitro-4-pyridinyl)thio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.