9-Benzyl-6-(benzylsulfanyl)-9h-purine
TL;DR: 9-Benzyl-6-(benzylsulfanyl)-9h-purine (CAS 21186-46-9) is a chemical compound with molecular formula C19H16N4S and molecular weight 332.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-benzyl-6-benzylsulfanylpurine
Also Known As: 9-benzyl-6-benzylsulfanylpurine, 9-benzyl-6-(benzylsulfanyl)-9h-purine, 9-benzyl-6-benzylthiopurine, 9-benzyl-6-benzylsulfanyl-purine, 6-(Benzylthio)-9-benzyl-9H-purine
| Molecular Formula | C19H16N4S |
|---|---|
| Molecular Weight | 332.11 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 68.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 332.10956 |
| Heavy Atoms | 24 |
| Complexity | 382.0 |
Chemical Identifiers
| CAS Number | 21186-46-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C=NC3=C2N=CN=C3SCC4=CC=CC=C4 |
| InChIKey | HYFZJHDNXSLUJU-UHFFFAOYSA-N |
Product Overview
9-Benzyl-6-(benzylsulfanyl)-9h-purine (CAS 21186-46-9), with molecular formula C19H16N4S and molecular weight 332.11 g/mol. IUPAC: 9-benzyl-6-benzylsulfanylpurine.
Chemical Property Profile of 9-Benzyl-6-(benzylsulfanyl)-9h-purine
Property Insights of 9-Benzyl-6-(benzylsulfanyl)-9h-purine
The XLogP value of 4.4 indicates that 9-Benzyl-6-(benzylsulfanyl)-9h-purine 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 9-Benzyl-6-(benzylsulfanyl)-9h-purine. Following Lipinski's Rule of Five, 9-Benzyl-6-(benzylsulfanyl)-9h-purine 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 9-Benzyl-6-(benzylsulfanyl)-9h-purine?
The CAS number of 9-Benzyl-6-(benzylsulfanyl)-9h-purine is 21186-46-9.
What is the molecular formula of 9-Benzyl-6-(benzylsulfanyl)-9h-purine?
The molecular formula of 9-Benzyl-6-(benzylsulfanyl)-9h-purine is C19H16N4S.
What is the molecular weight of 9-Benzyl-6-(benzylsulfanyl)-9h-purine?
The molecular weight of 9-Benzyl-6-(benzylsulfanyl)-9h-purine is 332.11 g/mol.
Where can I buy 9-Benzyl-6-(benzylsulfanyl)-9h-purine?
You can request a quote for 9-Benzyl-6-(benzylsulfanyl)-9h-purine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Benzyl-6-(benzylsulfanyl)-9h-purine?
Yes, KEHONG BIO provides custom synthesis services for 9-Benzyl-6-(benzylsulfanyl)-9h-purine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.