6,8-dichloro-2-methylsulfanyl-7H-purine
TL;DR: 6,8-dichloro-2-methylsulfanyl-7H-purine (CAS 98141-45-8) is a chemical compound with molecular formula C6H4Cl2N4S and molecular weight 233.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,8-dichloro-2-methylsulfanyl-7H-purine
Also Known As: 6,8-dichloro-2-methylsulfanyl-7H-purine, 1H-Purine, 6,8-dichloro-2-(methylthio)-, 6,8-Dichlor-2-methylmercapto-7(9)H-purin, 6,8-Dichloro-2-(methylsulfanyl)-7H-purine
| Molecular Formula | C6H4Cl2N4S |
|---|---|
| Molecular Weight | 233.95 g/mol |
| LogP | 2.3816 |
| Topological Polar Surface Area | 54.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 233.95337 |
| Heavy Atoms | 13 |
| Complexity | 455.07614 |
Chemical Identifiers
| CAS Number | 98141-45-8 |
|---|---|
| SMILES | CSC1=NC2=C(C(=N1)Cl)NC(=N2)Cl |
Product Overview
6,8-dichloro-2-methylsulfanyl-7H-purine (CAS 98141-45-8), with molecular formula C6H4Cl2N4S and molecular weight 233.95 g/mol. IUPAC: 6,8-dichloro-2-methylsulfanyl-7H-purine.
Chemical Property Profile of 6,8-dichloro-2-methylsulfanyl-7H-purine
Property Insights of 6,8-dichloro-2-methylsulfanyl-7H-purine
The XLogP value of 2.3816 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6,8-dichloro-2-methylsulfanyl-7H-purine. With a topological polar surface area (TPSA) of 54.46 Ų, 6,8-dichloro-2-methylsulfanyl-7H-purine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6,8-dichloro-2-methylsulfanyl-7H-purine has 1 hydrogen bond donor(s) and 4 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 6,8-dichloro-2-methylsulfanyl-7H-purine?
The CAS number of 6,8-dichloro-2-methylsulfanyl-7H-purine is 98141-45-8.
What is the molecular formula of 6,8-dichloro-2-methylsulfanyl-7H-purine?
The molecular formula of 6,8-dichloro-2-methylsulfanyl-7H-purine is C6H4Cl2N4S.
What is the molecular weight of 6,8-dichloro-2-methylsulfanyl-7H-purine?
The molecular weight of 6,8-dichloro-2-methylsulfanyl-7H-purine is 233.95 g/mol.
Where can I buy 6,8-dichloro-2-methylsulfanyl-7H-purine?
You can request a quote for 6,8-dichloro-2-methylsulfanyl-7H-purine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,8-dichloro-2-methylsulfanyl-7H-purine?
Yes, KEHONG BIO provides custom synthesis services for 6,8-dichloro-2-methylsulfanyl-7H-purine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.