6-(Methylsulfanyl)-9-(1h-pyrrol-1-yl)-9h-purine
TL;DR: 6-(Methylsulfanyl)-9-(1h-pyrrol-1-yl)-9h-purine (CAS 37154-80-6) is a chemical compound with molecular formula C10H9N5S and molecular weight 231.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methylsulfanyl-9-pyrrol-1-ylpurine
Also Known As: 6-methylsulfanyl-9-pyrrol-1-ylpurine, 6-(methylsulfanyl)-9-(1h-pyrrol-1-yl)-9h-purine, 6-methylsulfanyl-9-pyrrol-1-yl-purine, 6-Methylthio-9-pyrrol-1-yl-9H-purin, 6-(Methylthio)-9-(1H-pyrrol-1-yl)-9H-purine
| Molecular Formula | C10H9N5S |
|---|---|
| Molecular Weight | 231.06 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 73.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 231.05786 |
| Heavy Atoms | 16 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 37154-80-6 |
|---|---|
| SMILES | CSC1=NC=NC2=C1N=CN2N3C=CC=C3 |
| InChIKey | KCVIGMAQMPQZCS-UHFFFAOYSA-N |
Product Overview
6-(Methylsulfanyl)-9-(1h-pyrrol-1-yl)-9h-purine (CAS 37154-80-6), with molecular formula C10H9N5S and molecular weight 231.06 g/mol. IUPAC: 6-methylsulfanyl-9-pyrrol-1-ylpurine.
Chemical Property Profile of 6-(Methylsulfanyl)-9-(1h-pyrrol-1-yl)-9h-purine
Property Insights of 6-(Methylsulfanyl)-9-(1h-pyrrol-1-yl)-9h-purine
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(Methylsulfanyl)-9-(1h-pyrrol-1-yl)-9h-purine. The TPSA of 73.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(Methylsulfanyl)-9-(1h-pyrrol-1-yl)-9h-purine. Following Lipinski's Rule of Five, 6-(Methylsulfanyl)-9-(1h-pyrrol-1-yl)-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 6-(Methylsulfanyl)-9-(1h-pyrrol-1-yl)-9h-purine?
The CAS number of 6-(Methylsulfanyl)-9-(1h-pyrrol-1-yl)-9h-purine is 37154-80-6.
What is the molecular formula of 6-(Methylsulfanyl)-9-(1h-pyrrol-1-yl)-9h-purine?
The molecular formula of 6-(Methylsulfanyl)-9-(1h-pyrrol-1-yl)-9h-purine is C10H9N5S.
What is the molecular weight of 6-(Methylsulfanyl)-9-(1h-pyrrol-1-yl)-9h-purine?
The molecular weight of 6-(Methylsulfanyl)-9-(1h-pyrrol-1-yl)-9h-purine is 231.06 g/mol.
Where can I buy 6-(Methylsulfanyl)-9-(1h-pyrrol-1-yl)-9h-purine?
You can request a quote for 6-(Methylsulfanyl)-9-(1h-pyrrol-1-yl)-9h-purine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(Methylsulfanyl)-9-(1h-pyrrol-1-yl)-9h-purine?
Yes, KEHONG BIO provides custom synthesis services for 6-(Methylsulfanyl)-9-(1h-pyrrol-1-yl)-9h-purine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.