ethyl 2-((7-benzyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)propanoate
TL;DR: ethyl 2-((7-benzyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)propanoate (CAS 370076-25-8) is a chemical compound with molecular formula C18H20N4O4S and molecular weight 388.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(7-benzyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylpropanoate
Also Known As: ethyl 2-((7-benzyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)propanoate, ethyl 2-(7-benzyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylpropanoate, ethyl 2-[(7-benzyl-6-hydroxy-3-methyl-2-oxo-3,7-dihydro-2H-purin-8-yl)sulfanyl]propanoate
| Molecular Formula | C18H20N4O4S |
|---|---|
| Molecular Weight | 388.12 g/mol |
| LogP | 1.5153 |
| Topological Polar Surface Area | 98.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 388.1205 |
| Heavy Atoms | 27 |
| Complexity | 1084.42 |
Chemical Identifiers
| CAS Number | 370076-25-8 |
|---|---|
| SMILES | CCOC(=O)C(C)SC1=NC2=C(N1CC3=CC=CC=C3)C(=O)NC(=O)N2C |
Product Overview
ethyl 2-((7-benzyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)propanoate (CAS 370076-25-8), with molecular formula C18H20N4O4S and molecular weight 388.12 g/mol. IUPAC: ethyl 2-(7-benzyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylpropanoate.
Chemical Property Profile of ethyl 2-((7-benzyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)propanoate
Property Insights of ethyl 2-((7-benzyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)propanoate
The XLogP value of 1.5153 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-((7-benzyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)propanoate. The TPSA of 98.98 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-((7-benzyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)propanoate. Following Lipinski's Rule of Five, ethyl 2-((7-benzyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)propanoate 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 ethyl 2-((7-benzyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)propanoate?
The CAS number of ethyl 2-((7-benzyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)propanoate is 370076-25-8.
What is the molecular formula of ethyl 2-((7-benzyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)propanoate?
The molecular formula of ethyl 2-((7-benzyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)propanoate is C18H20N4O4S.
What is the molecular weight of ethyl 2-((7-benzyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)propanoate?
The molecular weight of ethyl 2-((7-benzyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)propanoate is 388.12 g/mol.
Where can I buy ethyl 2-((7-benzyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)propanoate?
You can request a quote for ethyl 2-((7-benzyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)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-((7-benzyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)propanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-((7-benzyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.