6-((1-Methyl-4-nitro-1H-imidazol-5-yl)thio)-9-(2-methylbutyl)-9H-purin-2-amine
TL;DR: 6-((1-Methyl-4-nitro-1H-imidazol-5-yl)thio)-9-(2-methylbutyl)-9H-purin-2-amine (CAS 94093-63-7) is a chemical compound with molecular formula C14H18N8O2S and molecular weight 362.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(2-methylbutyl)-6-(3-methyl-5-nitroimidazol-4-yl)sulfanylpurin-2-amine
Also Known As: 6-((1-Methyl-4-nitro-1H-imidazol-5-yl)thio)-9-(2-methylbutyl)-9H-purin-2-amine, 9-(2-methylbutyl)-6-(3-methyl-5-nitroimidazol-4-yl)sulfanylp, 9-(2-methylbutyl)-6-[(1-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-9H-purin-2-amine, 9-(2-methylbutyl)-6-(3-methyl-5-nitroimidazol-4-yl)sulfanylpurin-2-amine
| Molecular Formula | C14H18N8O2S |
|---|---|
| Molecular Weight | 362.13 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 159.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 362.12735 |
| Heavy Atoms | 25 |
| Complexity | 480.0 |
Chemical Identifiers
| CAS Number | 94093-63-7 |
|---|---|
| SMILES | CCC(C)CN1C=NC2=C1N=C(N=C2SC3=C(N=CN3C)[N+](=O)[O-])N |
| InChIKey | INVHSJDAQWENOL-UHFFFAOYSA-N |
Product Overview
6-((1-Methyl-4-nitro-1H-imidazol-5-yl)thio)-9-(2-methylbutyl)-9H-purin-2-amine (CAS 94093-63-7), with molecular formula C14H18N8O2S and molecular weight 362.13 g/mol. IUPAC: 9-(2-methylbutyl)-6-(3-methyl-5-nitroimidazol-4-yl)sulfanylpurin-2-amine.
Chemical Property Profile of 6-((1-Methyl-4-nitro-1H-imidazol-5-yl)thio)-9-(2-methylbutyl)-9H-purin-2-amine
Property Insights of 6-((1-Methyl-4-nitro-1H-imidazol-5-yl)thio)-9-(2-methylbutyl)-9H-purin-2-amine
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-((1-Methyl-4-nitro-1H-imidazol-5-yl)thio)-9-(2-methylbutyl)-9H-purin-2-amine. The TPSA of 159.0 Ų indicates high polarity, suggesting 6-((1-Methyl-4-nitro-1H-imidazol-5-yl)thio)-9-(2-methylbutyl)-9H-purin-2-amine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 6-((1-Methyl-4-nitro-1H-imidazol-5-yl)thio)-9-(2-methylbutyl)-9H-purin-2-amine 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 6-((1-Methyl-4-nitro-1H-imidazol-5-yl)thio)-9-(2-methylbutyl)-9H-purin-2-amine?
The CAS number of 6-((1-Methyl-4-nitro-1H-imidazol-5-yl)thio)-9-(2-methylbutyl)-9H-purin-2-amine is 94093-63-7.
What is the molecular formula of 6-((1-Methyl-4-nitro-1H-imidazol-5-yl)thio)-9-(2-methylbutyl)-9H-purin-2-amine?
The molecular formula of 6-((1-Methyl-4-nitro-1H-imidazol-5-yl)thio)-9-(2-methylbutyl)-9H-purin-2-amine is C14H18N8O2S.
What is the molecular weight of 6-((1-Methyl-4-nitro-1H-imidazol-5-yl)thio)-9-(2-methylbutyl)-9H-purin-2-amine?
The molecular weight of 6-((1-Methyl-4-nitro-1H-imidazol-5-yl)thio)-9-(2-methylbutyl)-9H-purin-2-amine is 362.13 g/mol.
Where can I buy 6-((1-Methyl-4-nitro-1H-imidazol-5-yl)thio)-9-(2-methylbutyl)-9H-purin-2-amine?
You can request a quote for 6-((1-Methyl-4-nitro-1H-imidazol-5-yl)thio)-9-(2-methylbutyl)-9H-purin-2-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-((1-Methyl-4-nitro-1H-imidazol-5-yl)thio)-9-(2-methylbutyl)-9H-purin-2-amine?
Yes, KEHONG BIO provides custom synthesis services for 6-((1-Methyl-4-nitro-1H-imidazol-5-yl)thio)-9-(2-methylbutyl)-9H-purin-2-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.