6-(2-Chloroallylthio)purine
TL;DR: 6-(2-Chloroallylthio)purine (CAS 6969-17-1) is a chemical compound with molecular formula C8H7ClN4S and molecular weight 226.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(2-chloroprop-2-enylsulfanyl)-7H-purine
Also Known As: 6-(2-Chloroallylthio)purine, Purine, 6-(2-chloroallylthio)-, 6-(2-chloroprop-2-enylsulfanyl)-7H-purine, 6-(2-Chloroallylthio)-7H-purine, 1H-Purine,6-((2-chloro-2-propenyl)thio)-
| Molecular Formula | C8H7ClN4S |
|---|---|
| Molecular Weight | 226.01 g/mol |
| LogP | 2.1975 |
| Topological Polar Surface Area | 54.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 226.008 |
| Heavy Atoms | 14 |
| Complexity | 467.06415 |
Chemical Identifiers
| CAS Number | 6969-17-1 |
|---|---|
| SMILES | C=C(CSC1=NC=NC2=C1NC=N2)Cl |
Product Overview
6-(2-Chloroallylthio)purine (CAS 6969-17-1), with molecular formula C8H7ClN4S and molecular weight 226.01 g/mol. IUPAC: 6-(2-chloroprop-2-enylsulfanyl)-7H-purine.
Chemical Property Profile of 6-(2-Chloroallylthio)purine
Property Insights of 6-(2-Chloroallylthio)purine
The XLogP value of 2.1975 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(2-Chloroallylthio)purine. With a topological polar surface area (TPSA) of 54.46 Ų, 6-(2-Chloroallylthio)purine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-(2-Chloroallylthio)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-(2-Chloroallylthio)purine?
The CAS number of 6-(2-Chloroallylthio)purine is 6969-17-1.
What is the molecular formula of 6-(2-Chloroallylthio)purine?
The molecular formula of 6-(2-Chloroallylthio)purine is C8H7ClN4S.
What is the molecular weight of 6-(2-Chloroallylthio)purine?
The molecular weight of 6-(2-Chloroallylthio)purine is 226.01 g/mol.
Where can I buy 6-(2-Chloroallylthio)purine?
You can request a quote for 6-(2-Chloroallylthio)purine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(2-Chloroallylthio)purine?
Yes, KEHONG BIO provides custom synthesis services for 6-(2-Chloroallylthio)purine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.