6-(Benzylthiomethyl)-5h-purine
TL;DR: 6-(Benzylthiomethyl)-5h-purine (CAS 3496-22-8) is a chemical compound with molecular formula C13H12N4S and molecular weight 256.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(benzylsulfanylmethyl)-5H-purine
Also Known As: 6-(benzylthiomethyl)-5h-purine, 6-(benzylsulfanylmethyl)-5H-purine
| Molecular Formula | C13H12N4S |
|---|---|
| Molecular Weight | 256.08 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 74.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 256.07828 |
| Heavy Atoms | 18 |
| Complexity | 419.0 |
Chemical Identifiers
| CAS Number | 3496-22-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSCC2=NC=NC3=NC=NC23 |
| InChIKey | QWAQQVNQRVCKDQ-UHFFFAOYSA-N |
Product Overview
6-(Benzylthiomethyl)-5h-purine (CAS 3496-22-8), with molecular formula C13H12N4S and molecular weight 256.08 g/mol. IUPAC: 6-(benzylsulfanylmethyl)-5H-purine.
Chemical Property Profile of 6-(Benzylthiomethyl)-5h-purine
Property Insights of 6-(Benzylthiomethyl)-5h-purine
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(Benzylthiomethyl)-5h-purine. The TPSA of 74.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(Benzylthiomethyl)-5h-purine. Following Lipinski's Rule of Five, 6-(Benzylthiomethyl)-5h-purine has 0 hydrogen bond donor(s) and 2 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-(Benzylthiomethyl)-5h-purine?
The CAS number of 6-(Benzylthiomethyl)-5h-purine is 3496-22-8.
What is the molecular formula of 6-(Benzylthiomethyl)-5h-purine?
The molecular formula of 6-(Benzylthiomethyl)-5h-purine is C13H12N4S.
What is the molecular weight of 6-(Benzylthiomethyl)-5h-purine?
The molecular weight of 6-(Benzylthiomethyl)-5h-purine is 256.08 g/mol.
Where can I buy 6-(Benzylthiomethyl)-5h-purine?
You can request a quote for 6-(Benzylthiomethyl)-5h-purine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(Benzylthiomethyl)-5h-purine?
Yes, KEHONG BIO provides custom synthesis services for 6-(Benzylthiomethyl)-5h-purine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.