![1-Methyl-N-[6-(methylsulfanyl)-9H-purin-9-yl]-5-oxopyrrolidine-3-carboxamide structure](/static/products/5746/57464-52-5.webp)
1-Methyl-N-[6-(methylsulfanyl)-9H-purin-9-yl]-5-oxopyrrolidine-3-carboxamide
TL;DR: 1-Methyl-N-[6-(methylsulfanyl)-9H-purin-9-yl]-5-oxopyrrolidine-3-carboxamide (CAS 57464-52-5) is a chemical compound with molecular formula C12H14N6O2S and molecular weight 306.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-N-(6-methylsulfanylpurin-9-yl)-5-oxopyrrolidine-3-carboxamide
Also Known As: 1-methyl-N-(6-methylsulfanylpurin-9-yl)-5-oxopyrrolidine-3-c, 1-Methyl-N-[6-(methylsulfanyl)-9H-purin-9-yl]-5-oxopyrrolidine-3-carboxamide, 1-methyl-N-(6-methylsulfanylpurin-9-yl)-5-oxopyrrolidine-3-carboxamide
| Molecular Formula | C12H14N6O2S |
|---|---|
| Molecular Weight | 306.09 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 306.0899 |
| Heavy Atoms | 21 |
| Complexity | 436.0 |
Chemical Identifiers
| CAS Number | 57464-52-5 |
|---|---|
| SMILES | CN1CC(CC1=O)C(=O)NN2C=NC3=C2N=CN=C3SC |
| InChIKey | FTDJQWBRUVHLHV-UHFFFAOYSA-N |
Product Overview
1-Methyl-N-[6-(methylsulfanyl)-9H-purin-9-yl]-5-oxopyrrolidine-3-carboxamide (CAS 57464-52-5), with molecular formula C12H14N6O2S and molecular weight 306.09 g/mol. IUPAC: 1-methyl-N-(6-methylsulfanylpurin-9-yl)-5-oxopyrrolidine-3-carboxamide.
Chemical Property Profile of 1-Methyl-N-[6-(methylsulfanyl)-9H-purin-9-yl]-5-oxopyrrolidine-3-carboxamide
Property Insights of 1-Methyl-N-[6-(methylsulfanyl)-9H-purin-9-yl]-5-oxopyrrolidine-3-carboxamide
The XLogP value of -0.3 indicates that 1-Methyl-N-[6-(methylsulfanyl)-9H-purin-9-yl]-5-oxopyrrolidine-3-carboxamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methyl-N-[6-(methylsulfanyl)-9H-purin-9-yl]-5-oxopyrrolidine-3-carboxamide. Following Lipinski's Rule of Five, 1-Methyl-N-[6-(methylsulfanyl)-9H-purin-9-yl]-5-oxopyrrolidine-3-carboxamide has 1 hydrogen bond donor(s) and 6 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 1-Methyl-N-[6-(methylsulfanyl)-9H-purin-9-yl]-5-oxopyrrolidine-3-carboxamide?
The CAS number of 1-Methyl-N-[6-(methylsulfanyl)-9H-purin-9-yl]-5-oxopyrrolidine-3-carboxamide is 57464-52-5.
What is the molecular formula of 1-Methyl-N-[6-(methylsulfanyl)-9H-purin-9-yl]-5-oxopyrrolidine-3-carboxamide?
The molecular formula of 1-Methyl-N-[6-(methylsulfanyl)-9H-purin-9-yl]-5-oxopyrrolidine-3-carboxamide is C12H14N6O2S.
What is the molecular weight of 1-Methyl-N-[6-(methylsulfanyl)-9H-purin-9-yl]-5-oxopyrrolidine-3-carboxamide?
The molecular weight of 1-Methyl-N-[6-(methylsulfanyl)-9H-purin-9-yl]-5-oxopyrrolidine-3-carboxamide is 306.09 g/mol.
Where can I buy 1-Methyl-N-[6-(methylsulfanyl)-9H-purin-9-yl]-5-oxopyrrolidine-3-carboxamide?
You can request a quote for 1-Methyl-N-[6-(methylsulfanyl)-9H-purin-9-yl]-5-oxopyrrolidine-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-N-[6-(methylsulfanyl)-9H-purin-9-yl]-5-oxopyrrolidine-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-N-[6-(methylsulfanyl)-9H-purin-9-yl]-5-oxopyrrolidine-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.