![Acetamide, 2-[(6,9-dimethyl-9H-purin-2-yl)thio]- structure](/static/products/5237/52379-96-1.webp)
Acetamide, 2-[(6,9-dimethyl-9H-purin-2-yl)thio]-
TL;DR: Acetamide, 2-[(6,9-dimethyl-9H-purin-2-yl)thio]- (CAS 52379-96-1) is a chemical compound with molecular formula C9H11N5OS and molecular weight 237.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6,9-dimethylpurin-2-yl)sulfanylacetamide
Also Known As: 2-carbamoylmethylthio-6,9-dimethylpurine, 2-(6,9-dimethylpurin-2-yl)sulfanylacetamide, Benzenecarboximidamide,N-(3-chlorophenyl), 2-((6,9-Dimethyl-9H-purin-2-yl)thio)acetamide, Acetamide, 2-[(6,9-dimethyl-9H-purin-2-yl)thio]-
| Molecular Formula | C9H11N5OS |
|---|---|
| Molecular Weight | 237.07 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 237.06844 |
| Heavy Atoms | 16 |
| Complexity | 277.0 |
Chemical Identifiers
| CAS Number | 52379-96-1 |
|---|---|
| SMILES | CC1=C2C(=NC(=N1)SCC(=O)N)N(C=N2)C |
| InChIKey | PYGFFZDQPMCLIS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acetamide, 2-[(6,9-dimethyl-9H-purin-2-yl)thio]- (CAS 52379-96-1), with molecular formula C9H11N5OS and molecular weight 237.07 g/mol. IUPAC: 2-(6,9-dimethylpurin-2-yl)sulfanylacetamide.
Chemical Property Profile of Acetamide, 2-[(6,9-dimethyl-9H-purin-2-yl)thio]-
Property Insights of Acetamide, 2-[(6,9-dimethyl-9H-purin-2-yl)thio]-
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetamide, 2-[(6,9-dimethyl-9H-purin-2-yl)thio]-. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetamide, 2-[(6,9-dimethyl-9H-purin-2-yl)thio]-. Following Lipinski's Rule of Five, Acetamide, 2-[(6,9-dimethyl-9H-purin-2-yl)thio]- has 1 hydrogen bond donor(s) and 5 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 Acetamide, 2-[(6,9-dimethyl-9H-purin-2-yl)thio]-?
The CAS number of Acetamide, 2-[(6,9-dimethyl-9H-purin-2-yl)thio]- is 52379-96-1.
What is the molecular formula of Acetamide, 2-[(6,9-dimethyl-9H-purin-2-yl)thio]-?
The molecular formula of Acetamide, 2-[(6,9-dimethyl-9H-purin-2-yl)thio]- is C9H11N5OS.
What is the molecular weight of Acetamide, 2-[(6,9-dimethyl-9H-purin-2-yl)thio]-?
The molecular weight of Acetamide, 2-[(6,9-dimethyl-9H-purin-2-yl)thio]- is 237.07 g/mol.
Where can I buy Acetamide, 2-[(6,9-dimethyl-9H-purin-2-yl)thio]-?
You can request a quote for Acetamide, 2-[(6,9-dimethyl-9H-purin-2-yl)thio]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetamide, 2-[(6,9-dimethyl-9H-purin-2-yl)thio]-?
Yes, KEHONG BIO provides custom synthesis services for Acetamide, 2-[(6,9-dimethyl-9H-purin-2-yl)thio]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.