![4-[Acetyl-(6-methylsulfanylpurin-9-yl)amino]butyl acetate structure](/static/products/5746/57464-55-8.webp)
4-[Acetyl-(6-methylsulfanylpurin-9-yl)amino]butyl acetate
TL;DR: 4-[Acetyl-(6-methylsulfanylpurin-9-yl)amino]butyl acetate (CAS 57464-55-8) is a chemical compound with molecular formula C14H19N5O3S and molecular weight 337.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[acetyl-(6-methylsulfanylpurin-9-yl)amino]butyl acetate
Also Known As: 4-[acetyl-(6-methylsulfanylpurin-9-yl)amino]butyl acetate, 4-{N-[6-(Methylsulfanyl)-9H-purin-9-yl]acetamido}butyl acetate
| Molecular Formula | C14H19N5O3S |
|---|---|
| Molecular Weight | 337.12 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 337.12085 |
| Heavy Atoms | 23 |
| Complexity | 425.0 |
Chemical Identifiers
| CAS Number | 57464-55-8 |
|---|---|
| SMILES | CC(=O)N(CCCCOC(=O)C)N1C=NC2=C1N=CN=C2SC |
| InChIKey | LIXVHNHBBSEUEG-UHFFFAOYSA-N |
Product Overview
4-[Acetyl-(6-methylsulfanylpurin-9-yl)amino]butyl acetate (CAS 57464-55-8), with molecular formula C14H19N5O3S and molecular weight 337.12 g/mol. IUPAC: 4-[acetyl-(6-methylsulfanylpurin-9-yl)amino]butyl acetate.
Chemical Property Profile of 4-[Acetyl-(6-methylsulfanylpurin-9-yl)amino]butyl acetate
Property Insights of 4-[Acetyl-(6-methylsulfanylpurin-9-yl)amino]butyl acetate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[Acetyl-(6-methylsulfanylpurin-9-yl)amino]butyl acetate. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[Acetyl-(6-methylsulfanylpurin-9-yl)amino]butyl acetate. Following Lipinski's Rule of Five, 4-[Acetyl-(6-methylsulfanylpurin-9-yl)amino]butyl acetate has 0 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 4-[Acetyl-(6-methylsulfanylpurin-9-yl)amino]butyl acetate?
The CAS number of 4-[Acetyl-(6-methylsulfanylpurin-9-yl)amino]butyl acetate is 57464-55-8.
What is the molecular formula of 4-[Acetyl-(6-methylsulfanylpurin-9-yl)amino]butyl acetate?
The molecular formula of 4-[Acetyl-(6-methylsulfanylpurin-9-yl)amino]butyl acetate is C14H19N5O3S.
What is the molecular weight of 4-[Acetyl-(6-methylsulfanylpurin-9-yl)amino]butyl acetate?
The molecular weight of 4-[Acetyl-(6-methylsulfanylpurin-9-yl)amino]butyl acetate is 337.12 g/mol.
Where can I buy 4-[Acetyl-(6-methylsulfanylpurin-9-yl)amino]butyl acetate?
You can request a quote for 4-[Acetyl-(6-methylsulfanylpurin-9-yl)amino]butyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[Acetyl-(6-methylsulfanylpurin-9-yl)amino]butyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 4-[Acetyl-(6-methylsulfanylpurin-9-yl)amino]butyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.