4-chlorobenzyl 7H-purin-6-yl sulfide
TL;DR: 4-chlorobenzyl 7H-purin-6-yl sulfide (CAS 5069-67-0) is a chemical compound with molecular formula C12H9ClN4S and molecular weight 276.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(4-chlorophenyl)methylsulfanyl]-7H-purine
Also Known As: 4-chlorobenzyl 7H-purin-6-yl sulfide, 6-[(4-chlorophenyl)methylthio]purine, 6-[(4-chlorophenyl)methylsulfanyl]-7H-purine, AH-262/37240005, 6-{[(4-CHLOROPHENYL)METHYL]SULFANYL}-7H-PURINE
| Molecular Formula | C12H9ClN4S |
|---|---|
| Molecular Weight | 276.02 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 79.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 276.02365 |
| Heavy Atoms | 18 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 5069-67-0 |
|---|---|
| SMILES | C1=CC(=CC=C1CSC2=NC=NC3=C2NC=N3)Cl |
| InChIKey | FOOOURJUHZNGIV-UHFFFAOYSA-N |
Product Overview
4-chlorobenzyl 7H-purin-6-yl sulfide (CAS 5069-67-0), with molecular formula C12H9ClN4S and molecular weight 276.02 g/mol. IUPAC: 6-[(4-chlorophenyl)methylsulfanyl]-7H-purine.
Chemical Property Profile of 4-chlorobenzyl 7H-purin-6-yl sulfide
Property Insights of 4-chlorobenzyl 7H-purin-6-yl sulfide
The XLogP value of 3.1 indicates that 4-chlorobenzyl 7H-purin-6-yl sulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-chlorobenzyl 7H-purin-6-yl sulfide. Following Lipinski's Rule of Five, 4-chlorobenzyl 7H-purin-6-yl sulfide 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 4-chlorobenzyl 7H-purin-6-yl sulfide?
The CAS number of 4-chlorobenzyl 7H-purin-6-yl sulfide is 5069-67-0.
What is the molecular formula of 4-chlorobenzyl 7H-purin-6-yl sulfide?
The molecular formula of 4-chlorobenzyl 7H-purin-6-yl sulfide is C12H9ClN4S.
What is the molecular weight of 4-chlorobenzyl 7H-purin-6-yl sulfide?
The molecular weight of 4-chlorobenzyl 7H-purin-6-yl sulfide is 276.02 g/mol.
Where can I buy 4-chlorobenzyl 7H-purin-6-yl sulfide?
You can request a quote for 4-chlorobenzyl 7H-purin-6-yl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-chlorobenzyl 7H-purin-6-yl sulfide?
Yes, KEHONG BIO provides custom synthesis services for 4-chlorobenzyl 7H-purin-6-yl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.