9H-Purine, 9-(2-chloroethyl)-6-(methylthio)-
TL;DR: 9H-Purine, 9-(2-chloroethyl)-6-(methylthio)- (CAS 2846-81-3) is a chemical compound with molecular formula C8H9ClN4S and molecular weight 228.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(2-chloroethyl)-6-methylsulfanylpurine
Also Known As: BC 75, 9H-Purine, 9-(2-chloroethyl)-6-(methylthio)-, 9-(2-chloroethyl)-6-methylsulfanylpurine, 9-(2-Chloroethyl)-6-(methylthio)-9H-purine, 9H-Purine,9-(2-chloroethyl)-6-(methylthio)-
| Molecular Formula | C8H9ClN4S |
|---|---|
| Molecular Weight | 228.02 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 68.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 228.02365 |
| Heavy Atoms | 14 |
| Complexity | 194.0 |
Chemical Identifiers
| CAS Number | 2846-81-3 |
|---|---|
| SMILES | CSC1=NC=NC2=C1N=CN2CCCl |
| InChIKey | FAOCJACWXNUMFZ-UHFFFAOYSA-N |
Product Overview
9H-Purine, 9-(2-chloroethyl)-6-(methylthio)- (CAS 2846-81-3), with molecular formula C8H9ClN4S and molecular weight 228.02 g/mol. IUPAC: 9-(2-chloroethyl)-6-methylsulfanylpurine.
Chemical Property Profile of 9H-Purine, 9-(2-chloroethyl)-6-(methylthio)-
Property Insights of 9H-Purine, 9-(2-chloroethyl)-6-(methylthio)-
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9H-Purine, 9-(2-chloroethyl)-6-(methylthio)-. The TPSA of 68.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 9H-Purine, 9-(2-chloroethyl)-6-(methylthio)-. Following Lipinski's Rule of Five, 9H-Purine, 9-(2-chloroethyl)-6-(methylthio)- has 0 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 9H-Purine, 9-(2-chloroethyl)-6-(methylthio)-?
The CAS number of 9H-Purine, 9-(2-chloroethyl)-6-(methylthio)- is 2846-81-3.
What is the molecular formula of 9H-Purine, 9-(2-chloroethyl)-6-(methylthio)-?
The molecular formula of 9H-Purine, 9-(2-chloroethyl)-6-(methylthio)- is C8H9ClN4S.
What is the molecular weight of 9H-Purine, 9-(2-chloroethyl)-6-(methylthio)-?
The molecular weight of 9H-Purine, 9-(2-chloroethyl)-6-(methylthio)- is 228.02 g/mol.
Where can I buy 9H-Purine, 9-(2-chloroethyl)-6-(methylthio)-?
You can request a quote for 9H-Purine, 9-(2-chloroethyl)-6-(methylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9H-Purine, 9-(2-chloroethyl)-6-(methylthio)-?
Yes, KEHONG BIO provides custom synthesis services for 9H-Purine, 9-(2-chloroethyl)-6-(methylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.