ethyl 2-(8-mercapto-3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)propanoate
TL;DR: ethyl 2-(8-mercapto-3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)propanoate (CAS 369609-96-1) is a chemical compound with molecular formula C11H14N4O4S and molecular weight 298.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(3-methyl-2,6-dioxo-8-sulfanylidene-9H-purin-7-yl)propanoate
Also Known As: ethyl 2-(3-methyl-2,6-dioxo-8-sulfanylidene-9H-purin-7-yl)propanoate, ethyl 2-(8-mercapto-3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)propanoate
| Molecular Formula | C11H14N4O4S |
|---|---|
| Molecular Weight | 298.07 g/mol |
| LogP | 0.20999 |
| Topological Polar Surface Area | 101.88 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 298.07358 |
| Heavy Atoms | 20 |
| Complexity | 840.69586 |
Chemical Identifiers
| CAS Number | 369609-96-1 |
|---|---|
| SMILES | CCOC(=O)C(C)N1C2=C(NC1=S)N(C(=O)NC2=O)C |
Product Overview
ethyl 2-(8-mercapto-3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)propanoate (CAS 369609-96-1), with molecular formula C11H14N4O4S and molecular weight 298.07 g/mol. IUPAC: ethyl 2-(3-methyl-2,6-dioxo-8-sulfanylidene-9H-purin-7-yl)propanoate.
Chemical Property Profile of ethyl 2-(8-mercapto-3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)propanoate
Property Insights of ethyl 2-(8-mercapto-3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)propanoate
The XLogP value of 0.20999 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-(8-mercapto-3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)propanoate. The TPSA of 101.88 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-(8-mercapto-3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)propanoate. Following Lipinski's Rule of Five, ethyl 2-(8-mercapto-3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)propanoate has 2 hydrogen bond donor(s) and 5 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 ethyl 2-(8-mercapto-3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)propanoate?
The CAS number of ethyl 2-(8-mercapto-3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)propanoate is 369609-96-1.
What is the molecular formula of ethyl 2-(8-mercapto-3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)propanoate?
The molecular formula of ethyl 2-(8-mercapto-3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)propanoate is C11H14N4O4S.
What is the molecular weight of ethyl 2-(8-mercapto-3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)propanoate?
The molecular weight of ethyl 2-(8-mercapto-3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)propanoate is 298.07 g/mol.
Where can I buy ethyl 2-(8-mercapto-3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)propanoate?
You can request a quote for ethyl 2-(8-mercapto-3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-(8-mercapto-3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(8-mercapto-3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.