![1-methyl-3-[2-(7H-purin-6-ylsulfanyl)ethyl]urea structure](/static/products/905/90563-40-9.png)
1-methyl-3-[2-(7H-purin-6-ylsulfanyl)ethyl]urea
TL;DR: 1-methyl-3-[2-(7H-purin-6-ylsulfanyl)ethyl]urea (CAS 90563-40-9) is a chemical compound with molecular formula C9H12N6OS and molecular weight 252.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-3-[2-(7H-purin-6-ylsulfanyl)ethyl]urea
Also Known As: 1-methyl-3-[2-(7H-purin-6-ylsulfanyl)ethyl]urea, 3-methyl-1-[2-(7H-purin-6-ylsulfanyl)ethyl]urea, N-Methyl-N'-{2-[(7H-purin-6-yl)sulfanyl]ethyl}urea
| Molecular Formula | C9H12N6OS |
|---|---|
| Molecular Weight | 252.08 g/mol |
| LogP | 0.374 |
| Topological Polar Surface Area | 95.59 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 252.07933 |
| Heavy Atoms | 17 |
| Complexity | 512.91034 |
Chemical Identifiers
| CAS Number | 90563-40-9 |
|---|---|
| SMILES | CNC(=O)NCCSC1=NC=NC2=C1NC=N2 |
Product Overview
1-methyl-3-[2-(7H-purin-6-ylsulfanyl)ethyl]urea (CAS 90563-40-9), with molecular formula C9H12N6OS and molecular weight 252.08 g/mol. IUPAC: 1-methyl-3-[2-(7H-purin-6-ylsulfanyl)ethyl]urea.
Chemical Property Profile of 1-methyl-3-[2-(7H-purin-6-ylsulfanyl)ethyl]urea
Property Insights of 1-methyl-3-[2-(7H-purin-6-ylsulfanyl)ethyl]urea
The XLogP value of 0.374 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-methyl-3-[2-(7H-purin-6-ylsulfanyl)ethyl]urea. The TPSA of 95.59 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-methyl-3-[2-(7H-purin-6-ylsulfanyl)ethyl]urea. Following Lipinski's Rule of Five, 1-methyl-3-[2-(7H-purin-6-ylsulfanyl)ethyl]urea has 3 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-methyl-3-[2-(7H-purin-6-ylsulfanyl)ethyl]urea?
The CAS number of 1-methyl-3-[2-(7H-purin-6-ylsulfanyl)ethyl]urea is 90563-40-9.
What is the molecular formula of 1-methyl-3-[2-(7H-purin-6-ylsulfanyl)ethyl]urea?
The molecular formula of 1-methyl-3-[2-(7H-purin-6-ylsulfanyl)ethyl]urea is C9H12N6OS.
What is the molecular weight of 1-methyl-3-[2-(7H-purin-6-ylsulfanyl)ethyl]urea?
The molecular weight of 1-methyl-3-[2-(7H-purin-6-ylsulfanyl)ethyl]urea is 252.08 g/mol.
Where can I buy 1-methyl-3-[2-(7H-purin-6-ylsulfanyl)ethyl]urea?
You can request a quote for 1-methyl-3-[2-(7H-purin-6-ylsulfanyl)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-methyl-3-[2-(7H-purin-6-ylsulfanyl)ethyl]urea?
Yes, KEHONG BIO provides custom synthesis services for 1-methyl-3-[2-(7H-purin-6-ylsulfanyl)ethyl]urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.