1H-Purine, 6-((2-methyl-5-nitro-1H-imidazol-4-yl)thio)-
TL;DR: 1H-Purine, 6-((2-methyl-5-nitro-1H-imidazol-4-yl)thio)- (CAS 5435-47-2) is a chemical compound with molecular formula C9H7N7O2S and molecular weight 277.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfanyl]-7H-purine
Also Known As: 6-(2-Methyl-5-nitro-4-imidazolyl)thiopurine, 6-[(2-methyl-5-nitro-1h-imidazol-4-yl)sulfanyl]-7h-purine, 1H-Purine, 6-((2-methyl-5-nitro-1H-imidazol-4-yl)thio)-, 6-((2-Methyl-5-nitro-1H-imidazol-4-yl)thio)-7H-purine, BRN 1153605
| Molecular Formula | C9H7N7O2S |
|---|---|
| Molecular Weight | 277.04 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 154.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 277.0382 |
| Heavy Atoms | 19 |
| Complexity | 354.0 |
Chemical Identifiers
| CAS Number | 5435-47-2 |
|---|---|
| SMILES | CC1=NC(=C(N1)[N+](=O)[O-])SC2=NC=NC3=C2NC=N3 |
| InChIKey | RIUYBKDQNBLHND-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-Purine, 6-((2-methyl-5-nitro-1H-imidazol-4-yl)thio)- (CAS 5435-47-2), with molecular formula C9H7N7O2S and molecular weight 277.04 g/mol. IUPAC: 6-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfanyl]-7H-purine.
Chemical Property Profile of 1H-Purine, 6-((2-methyl-5-nitro-1H-imidazol-4-yl)thio)-
Property Insights of 1H-Purine, 6-((2-methyl-5-nitro-1H-imidazol-4-yl)thio)-
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Purine, 6-((2-methyl-5-nitro-1H-imidazol-4-yl)thio)-. The TPSA of 154.0 Ų indicates high polarity, suggesting 1H-Purine, 6-((2-methyl-5-nitro-1H-imidazol-4-yl)thio)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1H-Purine, 6-((2-methyl-5-nitro-1H-imidazol-4-yl)thio)- has 2 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 1H-Purine, 6-((2-methyl-5-nitro-1H-imidazol-4-yl)thio)-?
The CAS number of 1H-Purine, 6-((2-methyl-5-nitro-1H-imidazol-4-yl)thio)- is 5435-47-2.
What is the molecular formula of 1H-Purine, 6-((2-methyl-5-nitro-1H-imidazol-4-yl)thio)-?
The molecular formula of 1H-Purine, 6-((2-methyl-5-nitro-1H-imidazol-4-yl)thio)- is C9H7N7O2S.
What is the molecular weight of 1H-Purine, 6-((2-methyl-5-nitro-1H-imidazol-4-yl)thio)-?
The molecular weight of 1H-Purine, 6-((2-methyl-5-nitro-1H-imidazol-4-yl)thio)- is 277.04 g/mol.
Where can I buy 1H-Purine, 6-((2-methyl-5-nitro-1H-imidazol-4-yl)thio)-?
You can request a quote for 1H-Purine, 6-((2-methyl-5-nitro-1H-imidazol-4-yl)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, 6-((2-methyl-5-nitro-1H-imidazol-4-yl)thio)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Purine, 6-((2-methyl-5-nitro-1H-imidazol-4-yl)thio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.