9-(2,5-Dimethyl-1h-pyrrol-1-yl)-6-(methylsulfanyl)-9h-purine
TL;DR: 9-(2,5-Dimethyl-1h-pyrrol-1-yl)-6-(methylsulfanyl)-9h-purine (CAS 37154-81-7) is a chemical compound with molecular formula C12H13N5S and molecular weight 259.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(2,5-dimethylpyrrol-1-yl)-6-methylsulfanylpurine
Also Known As: 9-(2,5-dimethylpyrrol-1-yl)-6-methylsulfanylpurine, 9-(2,5-dimethyl-1h-pyrrol-1-yl)-6-(methylsulfanyl)-9h-purine, 6-Methylthio-9-2',5'-dimethylpyrrol-1'-ylpurin, 9-(2,5-Dimethyl-1H-pyrrol-1-yl)-6-(methylthio)-9H-purine, 9H-Purine,9-(2,5-dimethyl-1H-pyrrol-1-yl)-6-(methylthio)-
| Molecular Formula | C12H13N5S |
|---|---|
| Molecular Weight | 259.09 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 73.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 259.08917 |
| Heavy Atoms | 18 |
| Complexity | 292.0 |
Chemical Identifiers
| CAS Number | 37154-81-7 |
|---|---|
| SMILES | CC1=CC=C(N1N2C=NC3=C2N=CN=C3SC)C |
| InChIKey | HCNZRXFJOIZENL-UHFFFAOYSA-N |
Product Overview
9-(2,5-Dimethyl-1h-pyrrol-1-yl)-6-(methylsulfanyl)-9h-purine (CAS 37154-81-7), with molecular formula C12H13N5S and molecular weight 259.09 g/mol. IUPAC: 9-(2,5-dimethylpyrrol-1-yl)-6-methylsulfanylpurine.
Chemical Property Profile of 9-(2,5-Dimethyl-1h-pyrrol-1-yl)-6-(methylsulfanyl)-9h-purine
Property Insights of 9-(2,5-Dimethyl-1h-pyrrol-1-yl)-6-(methylsulfanyl)-9h-purine
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-(2,5-Dimethyl-1h-pyrrol-1-yl)-6-(methylsulfanyl)-9h-purine. The TPSA of 73.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-(2,5-Dimethyl-1h-pyrrol-1-yl)-6-(methylsulfanyl)-9h-purine. Following Lipinski's Rule of Five, 9-(2,5-Dimethyl-1h-pyrrol-1-yl)-6-(methylsulfanyl)-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-(2,5-Dimethyl-1h-pyrrol-1-yl)-6-(methylsulfanyl)-9h-purine?
The CAS number of 9-(2,5-Dimethyl-1h-pyrrol-1-yl)-6-(methylsulfanyl)-9h-purine is 37154-81-7.
What is the molecular formula of 9-(2,5-Dimethyl-1h-pyrrol-1-yl)-6-(methylsulfanyl)-9h-purine?
The molecular formula of 9-(2,5-Dimethyl-1h-pyrrol-1-yl)-6-(methylsulfanyl)-9h-purine is C12H13N5S.
What is the molecular weight of 9-(2,5-Dimethyl-1h-pyrrol-1-yl)-6-(methylsulfanyl)-9h-purine?
The molecular weight of 9-(2,5-Dimethyl-1h-pyrrol-1-yl)-6-(methylsulfanyl)-9h-purine is 259.09 g/mol.
Where can I buy 9-(2,5-Dimethyl-1h-pyrrol-1-yl)-6-(methylsulfanyl)-9h-purine?
You can request a quote for 9-(2,5-Dimethyl-1h-pyrrol-1-yl)-6-(methylsulfanyl)-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-(2,5-Dimethyl-1h-pyrrol-1-yl)-6-(methylsulfanyl)-9h-purine?
Yes, KEHONG BIO provides custom synthesis services for 9-(2,5-Dimethyl-1h-pyrrol-1-yl)-6-(methylsulfanyl)-9h-purine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.