1H-Purine, 2-((2,4-dinitrophenyl)thio)-
TL;DR: 1H-Purine, 2-((2,4-dinitrophenyl)thio)- (CAS 75464-87-8) is a chemical compound with molecular formula C11H6N6O4S and molecular weight 318.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,4-dinitrophenyl)sulfanyl-7H-purine
Also Known As: 1H-Purine, 2-((2,4-dinitrophenyl)thio)-, 2-((2,4-Dinitrophenyl)thio)-1H-purine, 2-(2,4-dinitrophenyl)sulfanyl-7H-purine, 2-[(2,4-Dinitrophenyl)sulfanyl]-7H-purine
| Molecular Formula | C11H6N6O4S |
|---|---|
| Molecular Weight | 318.02 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 171.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 318.01712 |
| Heavy Atoms | 22 |
| Complexity | 443.0 |
Chemical Identifiers
| CAS Number | 75464-87-8 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])SC2=NC=C3C(=N2)N=CN3 |
| InChIKey | AYMOREBRUDUHAZ-UHFFFAOYSA-N |
Product Overview
1H-Purine, 2-((2,4-dinitrophenyl)thio)- (CAS 75464-87-8), with molecular formula C11H6N6O4S and molecular weight 318.02 g/mol. IUPAC: 2-(2,4-dinitrophenyl)sulfanyl-7H-purine.
Chemical Property Profile of 1H-Purine, 2-((2,4-dinitrophenyl)thio)-
Property Insights of 1H-Purine, 2-((2,4-dinitrophenyl)thio)-
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Purine, 2-((2,4-dinitrophenyl)thio)-. The TPSA of 171.0 Ų indicates high polarity, suggesting 1H-Purine, 2-((2,4-dinitrophenyl)thio)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1H-Purine, 2-((2,4-dinitrophenyl)thio)- has 1 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 1H-Purine, 2-((2,4-dinitrophenyl)thio)-?
The CAS number of 1H-Purine, 2-((2,4-dinitrophenyl)thio)- is 75464-87-8.
What is the molecular formula of 1H-Purine, 2-((2,4-dinitrophenyl)thio)-?
The molecular formula of 1H-Purine, 2-((2,4-dinitrophenyl)thio)- is C11H6N6O4S.
What is the molecular weight of 1H-Purine, 2-((2,4-dinitrophenyl)thio)-?
The molecular weight of 1H-Purine, 2-((2,4-dinitrophenyl)thio)- is 318.02 g/mol.
Where can I buy 1H-Purine, 2-((2,4-dinitrophenyl)thio)-?
You can request a quote for 1H-Purine, 2-((2,4-dinitrophenyl)thio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Purine, 2-((2,4-dinitrophenyl)thio)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Purine, 2-((2,4-dinitrophenyl)thio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.