![9-Butyl-6-[(1-methyl-4-nitro-1h-imidazol-5-yl)sulfanyl]-9h-purin-2-amine structure](/static/products/4162/41623-20-5.webp)
9-Butyl-6-[(1-methyl-4-nitro-1h-imidazol-5-yl)sulfanyl]-9h-purin-2-amine
TL;DR: 9-Butyl-6-[(1-methyl-4-nitro-1h-imidazol-5-yl)sulfanyl]-9h-purin-2-amine (CAS 41623-20-5) is a chemical compound with molecular formula C13H16N8O2S and molecular weight 348.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-butyl-6-(3-methyl-5-nitroimidazol-4-yl)sulfanylpurin-2-amine
Also Known As: 9-butyl-6-[(1-methyl-4-nitro-1h-imidazol-5-yl)sulfanyl]-9h-purin-2-amine, 9-Butyl-6-((1-methyl-4-nitro-1H-imidazol-5-yl)thio)-9H-purin-2-amine, 9-butyl-6-(3-methyl-5-nitroimidazol-4-yl)sulfanylpurin-2-amine
| Molecular Formula | C13H16N8O2S |
|---|---|
| Molecular Weight | 348.11 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 159.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 348.1117 |
| Heavy Atoms | 24 |
| Complexity | 452.0 |
Chemical Identifiers
| CAS Number | 41623-20-5 |
|---|---|
| SMILES | CCCCN1C=NC2=C1N=C(N=C2SC3=C(N=CN3C)[N+](=O)[O-])N |
| InChIKey | MPGCNJUSMWDEDV-UHFFFAOYSA-N |
Product Overview
9-Butyl-6-[(1-methyl-4-nitro-1h-imidazol-5-yl)sulfanyl]-9h-purin-2-amine (CAS 41623-20-5), with molecular formula C13H16N8O2S and molecular weight 348.11 g/mol. IUPAC: 9-butyl-6-(3-methyl-5-nitroimidazol-4-yl)sulfanylpurin-2-amine.
Chemical Property Profile of 9-Butyl-6-[(1-methyl-4-nitro-1h-imidazol-5-yl)sulfanyl]-9h-purin-2-amine
Property Insights of 9-Butyl-6-[(1-methyl-4-nitro-1h-imidazol-5-yl)sulfanyl]-9h-purin-2-amine
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-Butyl-6-[(1-methyl-4-nitro-1h-imidazol-5-yl)sulfanyl]-9h-purin-2-amine. The TPSA of 159.0 Ų indicates high polarity, suggesting 9-Butyl-6-[(1-methyl-4-nitro-1h-imidazol-5-yl)sulfanyl]-9h-purin-2-amine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 9-Butyl-6-[(1-methyl-4-nitro-1h-imidazol-5-yl)sulfanyl]-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 9-Butyl-6-[(1-methyl-4-nitro-1h-imidazol-5-yl)sulfanyl]-9h-purin-2-amine?
The CAS number of 9-Butyl-6-[(1-methyl-4-nitro-1h-imidazol-5-yl)sulfanyl]-9h-purin-2-amine is 41623-20-5.
What is the molecular formula of 9-Butyl-6-[(1-methyl-4-nitro-1h-imidazol-5-yl)sulfanyl]-9h-purin-2-amine?
The molecular formula of 9-Butyl-6-[(1-methyl-4-nitro-1h-imidazol-5-yl)sulfanyl]-9h-purin-2-amine is C13H16N8O2S.
What is the molecular weight of 9-Butyl-6-[(1-methyl-4-nitro-1h-imidazol-5-yl)sulfanyl]-9h-purin-2-amine?
The molecular weight of 9-Butyl-6-[(1-methyl-4-nitro-1h-imidazol-5-yl)sulfanyl]-9h-purin-2-amine is 348.11 g/mol.
Where can I buy 9-Butyl-6-[(1-methyl-4-nitro-1h-imidazol-5-yl)sulfanyl]-9h-purin-2-amine?
You can request a quote for 9-Butyl-6-[(1-methyl-4-nitro-1h-imidazol-5-yl)sulfanyl]-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 9-Butyl-6-[(1-methyl-4-nitro-1h-imidazol-5-yl)sulfanyl]-9h-purin-2-amine?
Yes, KEHONG BIO provides custom synthesis services for 9-Butyl-6-[(1-methyl-4-nitro-1h-imidazol-5-yl)sulfanyl]-9h-purin-2-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.