![9-(2-Methylpropyl)-6-{[(2-nitrophenyl)methyl]sulfanyl}-9H-purin-2-amine structure](/static/products/940/94093-93-3.png)
9-(2-Methylpropyl)-6-{[(2-nitrophenyl)methyl]sulfanyl}-9H-purin-2-amine
TL;DR: 9-(2-Methylpropyl)-6-{[(2-nitrophenyl)methyl]sulfanyl}-9H-purin-2-amine (CAS 94093-93-3) is a chemical compound with molecular formula C16H18N6O2S and molecular weight 358.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(2-methylpropyl)-6-[(2-nitrophenyl)methylsulfanyl]purin-2-amine
Also Known As: 9-Isobutyl-6-((2-nitrobenzyl)thio)-9H-purin-2-amine, 9-(2-methylpropyl)-6-[(2-nitrophenyl)methylsulfanyl]purin-2-, 9-(2-Methylpropyl)-6-{[(2-nitrophenyl)methyl]sulfanyl}-9H-purin-2-amine, 9-(2-methylpropyl)-6-[(2-nitrobenzyl)sulfanyl]-9H-purin-2-amine, 9-(2-methylpropyl)-6-[(2-nitrophenyl)methylsulfanyl]purin-2-amine
| Molecular Formula | C16H18N6O2S |
|---|---|
| Molecular Weight | 358.12 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 141.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 358.1212 |
| Heavy Atoms | 25 |
| Complexity | 462.0 |
Chemical Identifiers
| CAS Number | 94093-93-3 |
|---|---|
| SMILES | CC(C)CN1C=NC2=C1N=C(N=C2SCC3=CC=CC=C3[N+](=O)[O-])N |
| InChIKey | QWUNCXHRHLKRGR-UHFFFAOYSA-N |
Product Overview
9-(2-Methylpropyl)-6-{[(2-nitrophenyl)methyl]sulfanyl}-9H-purin-2-amine (CAS 94093-93-3), with molecular formula C16H18N6O2S and molecular weight 358.12 g/mol. IUPAC: 9-(2-methylpropyl)-6-[(2-nitrophenyl)methylsulfanyl]purin-2-amine.
Chemical Property Profile of 9-(2-Methylpropyl)-6-{[(2-nitrophenyl)methyl]sulfanyl}-9H-purin-2-amine
Property Insights of 9-(2-Methylpropyl)-6-{[(2-nitrophenyl)methyl]sulfanyl}-9H-purin-2-amine
The XLogP value of 3.1 indicates that 9-(2-Methylpropyl)-6-{[(2-nitrophenyl)methyl]sulfanyl}-9H-purin-2-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 141.0 Ų indicates high polarity, suggesting 9-(2-Methylpropyl)-6-{[(2-nitrophenyl)methyl]sulfanyl}-9H-purin-2-amine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 9-(2-Methylpropyl)-6-{[(2-nitrophenyl)methyl]sulfanyl}-9H-purin-2-amine has 1 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 9-(2-Methylpropyl)-6-{[(2-nitrophenyl)methyl]sulfanyl}-9H-purin-2-amine?
The CAS number of 9-(2-Methylpropyl)-6-{[(2-nitrophenyl)methyl]sulfanyl}-9H-purin-2-amine is 94093-93-3.
What is the molecular formula of 9-(2-Methylpropyl)-6-{[(2-nitrophenyl)methyl]sulfanyl}-9H-purin-2-amine?
The molecular formula of 9-(2-Methylpropyl)-6-{[(2-nitrophenyl)methyl]sulfanyl}-9H-purin-2-amine is C16H18N6O2S.
What is the molecular weight of 9-(2-Methylpropyl)-6-{[(2-nitrophenyl)methyl]sulfanyl}-9H-purin-2-amine?
The molecular weight of 9-(2-Methylpropyl)-6-{[(2-nitrophenyl)methyl]sulfanyl}-9H-purin-2-amine is 358.12 g/mol.
Where can I buy 9-(2-Methylpropyl)-6-{[(2-nitrophenyl)methyl]sulfanyl}-9H-purin-2-amine?
You can request a quote for 9-(2-Methylpropyl)-6-{[(2-nitrophenyl)methyl]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-(2-Methylpropyl)-6-{[(2-nitrophenyl)methyl]sulfanyl}-9H-purin-2-amine?
Yes, KEHONG BIO provides custom synthesis services for 9-(2-Methylpropyl)-6-{[(2-nitrophenyl)methyl]sulfanyl}-9H-purin-2-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.