2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-oxothiolan-3-yl)acetamide
TL;DR: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-oxothiolan-3-yl)acetamide (CAS 342615-67-2) is a chemical compound with molecular formula C13H15N5O4S and molecular weight 337.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-oxothiolan-3-yl)acetamide
Also Known As: BAS 01937036, 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-oxothiolan-3-yl)acetamide, 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(2-oxotetrahydrothiophen-3-yl)acetamide, 2-(1,3-dimethyl-2,6-dioxo(1,3,7-trihydropurin-7-yl))-N-(2-oxo(3-3,4,5-trihydro thienyl))acetamide, 2-(1,3-DIMETHYL-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-7-YL)-N-(2-OXOTHIOLAN-3-YL)ACETAMIDE
| Molecular Formula | C13H15N5O4S |
|---|---|
| Molecular Weight | 337.08 g/mol |
| LogP | -1.418 |
| Topological Polar Surface Area | 107.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 337.08447 |
| Heavy Atoms | 23 |
| Complexity | 924.8134 |
Chemical Identifiers
| CAS Number | 342615-67-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NC3CCSC3=O |
Product Overview
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-oxothiolan-3-yl)acetamide (CAS 342615-67-2), with molecular formula C13H15N5O4S and molecular weight 337.08 g/mol. IUPAC: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-oxothiolan-3-yl)acetamide.
Chemical Property Profile of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-oxothiolan-3-yl)acetamide
Property Insights of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-oxothiolan-3-yl)acetamide
The XLogP value of -1.418 indicates that 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-oxothiolan-3-yl)acetamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 107.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-oxothiolan-3-yl)acetamide. Following Lipinski's Rule of Five, 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-oxothiolan-3-yl)acetamide 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 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-oxothiolan-3-yl)acetamide?
The CAS number of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-oxothiolan-3-yl)acetamide is 342615-67-2.
What is the molecular formula of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-oxothiolan-3-yl)acetamide?
The molecular formula of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-oxothiolan-3-yl)acetamide is C13H15N5O4S.
What is the molecular weight of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-oxothiolan-3-yl)acetamide?
The molecular weight of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-oxothiolan-3-yl)acetamide is 337.08 g/mol.
Where can I buy 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-oxothiolan-3-yl)acetamide?
You can request a quote for 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-oxothiolan-3-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-oxothiolan-3-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-oxothiolan-3-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.