9H-Purine, 6-(o-chlorobenzylthio)-9-(2-chloroethyl)-
TL;DR: 9H-Purine, 6-(o-chlorobenzylthio)-9-(2-chloroethyl)- (CAS 35187-62-3) is a chemical compound with molecular formula C14H12Cl2N4S and molecular weight 338.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(2-chloroethyl)-6-[(2-chlorophenyl)methylsulfanyl]purine
Also Known As: NCIOpen2_007775, 9H-Purine, 6-(o-chlorobenzylthio)-9-(2-chloroethyl)-, 9-(2-chloroethyl)-6-[(2-chlorophenyl)methylsulfanyl]purine, 6-((2-Chlorobenzyl)thio)-9-(2-chloroethyl)-9H-purine, 9H-Purine, 6-[(o-chlorobenzyl)thio]-9-(2-chloroethyl)-
| Molecular Formula | C14H12Cl2N4S |
|---|---|
| Molecular Weight | 338.02 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 68.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 338.01596 |
| Heavy Atoms | 21 |
| Complexity | 336.0 |
Chemical Identifiers
| CAS Number | 35187-62-3 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CSC2=NC=NC3=C2N=CN3CCCl)Cl |
| InChIKey | JIVHOWFJTJBYTK-UHFFFAOYSA-N |
Product Overview
9H-Purine, 6-(o-chlorobenzylthio)-9-(2-chloroethyl)- (CAS 35187-62-3), with molecular formula C14H12Cl2N4S and molecular weight 338.02 g/mol. IUPAC: 9-(2-chloroethyl)-6-[(2-chlorophenyl)methylsulfanyl]purine.
Chemical Property Profile of 9H-Purine, 6-(o-chlorobenzylthio)-9-(2-chloroethyl)-
Property Insights of 9H-Purine, 6-(o-chlorobenzylthio)-9-(2-chloroethyl)-
The XLogP value of 3.5 indicates that 9H-Purine, 6-(o-chlorobenzylthio)-9-(2-chloroethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 9H-Purine, 6-(o-chlorobenzylthio)-9-(2-chloroethyl)-. Following Lipinski's Rule of Five, 9H-Purine, 6-(o-chlorobenzylthio)-9-(2-chloroethyl)- 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, 6-(o-chlorobenzylthio)-9-(2-chloroethyl)-?
The CAS number of 9H-Purine, 6-(o-chlorobenzylthio)-9-(2-chloroethyl)- is 35187-62-3.
What is the molecular formula of 9H-Purine, 6-(o-chlorobenzylthio)-9-(2-chloroethyl)-?
The molecular formula of 9H-Purine, 6-(o-chlorobenzylthio)-9-(2-chloroethyl)- is C14H12Cl2N4S.
What is the molecular weight of 9H-Purine, 6-(o-chlorobenzylthio)-9-(2-chloroethyl)-?
The molecular weight of 9H-Purine, 6-(o-chlorobenzylthio)-9-(2-chloroethyl)- is 338.02 g/mol.
Where can I buy 9H-Purine, 6-(o-chlorobenzylthio)-9-(2-chloroethyl)-?
You can request a quote for 9H-Purine, 6-(o-chlorobenzylthio)-9-(2-chloroethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9H-Purine, 6-(o-chlorobenzylthio)-9-(2-chloroethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 9H-Purine, 6-(o-chlorobenzylthio)-9-(2-chloroethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.