2-(9-Benzylpurin-6-yl)sulfanylethylurea
TL;DR: 2-(9-Benzylpurin-6-yl)sulfanylethylurea (CAS 92245-90-4) is a chemical compound with molecular formula C15H16N6OS and molecular weight 328.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(9-benzylpurin-6-yl)sulfanylethylurea
Also Known As: 2-(9-benzylpurin-6-yl)sulfanylethylurea, 1-{2-[(9-benzyl-9h-purin-6-yl)sulfanyl]ethyl}urea, N-{2-[(9-Benzyl-9H-purin-6-yl)sulfanyl]ethyl}urea, Urea,N-[2-[[9-(phenylmethyl)-9H-purin-6-yl]thio]ethyl]-
| Molecular Formula | C15H16N6OS |
|---|---|
| Molecular Weight | 328.11 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 328.11063 |
| Heavy Atoms | 23 |
| Complexity | 392.0 |
Chemical Identifiers
| CAS Number | 92245-90-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C=NC3=C2N=CN=C3SCCNC(=O)N |
| InChIKey | NCXZFLURFIYNTE-UHFFFAOYSA-N |
Product Overview
2-(9-Benzylpurin-6-yl)sulfanylethylurea (CAS 92245-90-4), with molecular formula C15H16N6OS and molecular weight 328.11 g/mol. IUPAC: 2-(9-benzylpurin-6-yl)sulfanylethylurea.
Chemical Property Profile of 2-(9-Benzylpurin-6-yl)sulfanylethylurea
Property Insights of 2-(9-Benzylpurin-6-yl)sulfanylethylurea
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(9-Benzylpurin-6-yl)sulfanylethylurea. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(9-Benzylpurin-6-yl)sulfanylethylurea. Following Lipinski's Rule of Five, 2-(9-Benzylpurin-6-yl)sulfanylethylurea 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 2-(9-Benzylpurin-6-yl)sulfanylethylurea?
The CAS number of 2-(9-Benzylpurin-6-yl)sulfanylethylurea is 92245-90-4.
What is the molecular formula of 2-(9-Benzylpurin-6-yl)sulfanylethylurea?
The molecular formula of 2-(9-Benzylpurin-6-yl)sulfanylethylurea is C15H16N6OS.
What is the molecular weight of 2-(9-Benzylpurin-6-yl)sulfanylethylurea?
The molecular weight of 2-(9-Benzylpurin-6-yl)sulfanylethylurea is 328.11 g/mol.
Where can I buy 2-(9-Benzylpurin-6-yl)sulfanylethylurea?
You can request a quote for 2-(9-Benzylpurin-6-yl)sulfanylethylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(9-Benzylpurin-6-yl)sulfanylethylurea?
Yes, KEHONG BIO provides custom synthesis services for 2-(9-Benzylpurin-6-yl)sulfanylethylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.