![1-{2-[(9-Heptyl-9h-purin-6-yl)sulfanyl]ethyl}urea structure](/static/products/864/86436-50-2.png)
1-{2-[(9-Heptyl-9h-purin-6-yl)sulfanyl]ethyl}urea
TL;DR: 1-{2-[(9-Heptyl-9h-purin-6-yl)sulfanyl]ethyl}urea (CAS 86436-50-2) is a chemical compound with molecular formula C15H24N6OS and molecular weight 336.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(9-heptylpurin-6-yl)sulfanylethylurea
Also Known As: 2-(9-heptylpurin-6-yl)sulfanylethylurea, 1-{2-[(9-heptyl-9h-purin-6-yl)sulfanyl]ethyl}urea, N-{2-[(9-Heptyl-9H-purin-6-yl)sulfanyl]ethyl}urea
| Molecular Formula | C15H24N6OS |
|---|---|
| Molecular Weight | 336.17 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 336.17322 |
| Heavy Atoms | 23 |
| Complexity | 359.0 |
Chemical Identifiers
| CAS Number | 86436-50-2 |
|---|---|
| SMILES | CCCCCCCN1C=NC2=C1N=CN=C2SCCNC(=O)N |
| InChIKey | KVYLIBSLBXDRIK-UHFFFAOYSA-N |
Product Overview
1-{2-[(9-Heptyl-9h-purin-6-yl)sulfanyl]ethyl}urea (CAS 86436-50-2), with molecular formula C15H24N6OS and molecular weight 336.17 g/mol. IUPAC: 2-(9-heptylpurin-6-yl)sulfanylethylurea.
Chemical Property Profile of 1-{2-[(9-Heptyl-9h-purin-6-yl)sulfanyl]ethyl}urea
Property Insights of 1-{2-[(9-Heptyl-9h-purin-6-yl)sulfanyl]ethyl}urea
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-{2-[(9-Heptyl-9h-purin-6-yl)sulfanyl]ethyl}urea. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-{2-[(9-Heptyl-9h-purin-6-yl)sulfanyl]ethyl}urea. Following Lipinski's Rule of Five, 1-{2-[(9-Heptyl-9h-purin-6-yl)sulfanyl]ethyl}urea has 2 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 1-{2-[(9-Heptyl-9h-purin-6-yl)sulfanyl]ethyl}urea?
The CAS number of 1-{2-[(9-Heptyl-9h-purin-6-yl)sulfanyl]ethyl}urea is 86436-50-2.
What is the molecular formula of 1-{2-[(9-Heptyl-9h-purin-6-yl)sulfanyl]ethyl}urea?
The molecular formula of 1-{2-[(9-Heptyl-9h-purin-6-yl)sulfanyl]ethyl}urea is C15H24N6OS.
What is the molecular weight of 1-{2-[(9-Heptyl-9h-purin-6-yl)sulfanyl]ethyl}urea?
The molecular weight of 1-{2-[(9-Heptyl-9h-purin-6-yl)sulfanyl]ethyl}urea is 336.17 g/mol.
Where can I buy 1-{2-[(9-Heptyl-9h-purin-6-yl)sulfanyl]ethyl}urea?
You can request a quote for 1-{2-[(9-Heptyl-9h-purin-6-yl)sulfanyl]ethyl}urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-{2-[(9-Heptyl-9h-purin-6-yl)sulfanyl]ethyl}urea?
Yes, KEHONG BIO provides custom synthesis services for 1-{2-[(9-Heptyl-9h-purin-6-yl)sulfanyl]ethyl}urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.