![ethyl N-[4-[acetyl-(6-methylsulfanylpurin-9-yl)amino]butyl]carbamate structure](/static/products/5746/57464-59-2.webp)
ethyl N-[4-[acetyl-(6-methylsulfanylpurin-9-yl)amino]butyl]carbamate
TL;DR: ethyl N-[4-[acetyl-(6-methylsulfanylpurin-9-yl)amino]butyl]carbamate (CAS 57464-59-2) is a chemical compound with molecular formula C15H22N6O3S and molecular weight 366.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[4-[acetyl-(6-methylsulfanylpurin-9-yl)amino]butyl]carbamate
Also Known As: ethyl N-[4-[acetyl-(6-methylsulfanylpurin-9-yl)amino]butyl]carbamate, ethyl N-[4-[acetyl-(6-methylsulfanylpurin-9-yl)amino]butyl]c, Ethyl (4-{N-[6-(methylsulfanyl)-9H-purin-9-yl]acetamido}butyl)carbamate
| Molecular Formula | C15H22N6O3S |
|---|---|
| Molecular Weight | 366.15 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 128.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 366.1474 |
| Heavy Atoms | 25 |
| Complexity | 455.0 |
Chemical Identifiers
| CAS Number | 57464-59-2 |
|---|---|
| SMILES | CCOC(=O)NCCCCN(C(=O)C)N1C=NC2=C1N=CN=C2SC |
| InChIKey | PQQANIXIFTWODT-UHFFFAOYSA-N |
Product Overview
ethyl N-[4-[acetyl-(6-methylsulfanylpurin-9-yl)amino]butyl]carbamate (CAS 57464-59-2), with molecular formula C15H22N6O3S and molecular weight 366.15 g/mol. IUPAC: ethyl N-[4-[acetyl-(6-methylsulfanylpurin-9-yl)amino]butyl]carbamate.
Chemical Property Profile of ethyl N-[4-[acetyl-(6-methylsulfanylpurin-9-yl)amino]butyl]carbamate
Property Insights of ethyl N-[4-[acetyl-(6-methylsulfanylpurin-9-yl)amino]butyl]carbamate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl N-[4-[acetyl-(6-methylsulfanylpurin-9-yl)amino]butyl]carbamate. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl N-[4-[acetyl-(6-methylsulfanylpurin-9-yl)amino]butyl]carbamate. Following Lipinski's Rule of Five, ethyl N-[4-[acetyl-(6-methylsulfanylpurin-9-yl)amino]butyl]carbamate 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 ethyl N-[4-[acetyl-(6-methylsulfanylpurin-9-yl)amino]butyl]carbamate?
The CAS number of ethyl N-[4-[acetyl-(6-methylsulfanylpurin-9-yl)amino]butyl]carbamate is 57464-59-2.
What is the molecular formula of ethyl N-[4-[acetyl-(6-methylsulfanylpurin-9-yl)amino]butyl]carbamate?
The molecular formula of ethyl N-[4-[acetyl-(6-methylsulfanylpurin-9-yl)amino]butyl]carbamate is C15H22N6O3S.
What is the molecular weight of ethyl N-[4-[acetyl-(6-methylsulfanylpurin-9-yl)amino]butyl]carbamate?
The molecular weight of ethyl N-[4-[acetyl-(6-methylsulfanylpurin-9-yl)amino]butyl]carbamate is 366.15 g/mol.
Where can I buy ethyl N-[4-[acetyl-(6-methylsulfanylpurin-9-yl)amino]butyl]carbamate?
You can request a quote for ethyl N-[4-[acetyl-(6-methylsulfanylpurin-9-yl)amino]butyl]carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl N-[4-[acetyl-(6-methylsulfanylpurin-9-yl)amino]butyl]carbamate?
Yes, KEHONG BIO provides custom synthesis services for ethyl N-[4-[acetyl-(6-methylsulfanylpurin-9-yl)amino]butyl]carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.