2-(7-Ethyl-1,3-dimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide
TL;DR: 2-(7-Ethyl-1,3-dimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide (CAS 460715-53-1) is a chemical compound with molecular formula C11H15N5O3S and molecular weight 297.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(7-ethyl-1,3-dimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide
Also Known As: ASN 03801373, VU0187774-6, 2-(7-ethyl-1,3-dimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide, 2-(7-Ethyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-ylsulfanyl)-acetamide, 2-[(7-ethyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetamide
| Molecular Formula | C11H15N5O3S |
|---|---|
| Molecular Weight | 297.09 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 297.08957 |
| Heavy Atoms | 20 |
| Complexity | 446.0 |
Chemical Identifiers
| CAS Number | 460715-53-1 |
|---|---|
| SMILES | CCN1C2=C(N=C1SCC(=O)N)N(C(=O)N(C2=O)C)C |
| InChIKey | MBHGYHPPEHAFFM-UHFFFAOYSA-N |
Product Overview
2-(7-Ethyl-1,3-dimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide (CAS 460715-53-1), with molecular formula C11H15N5O3S and molecular weight 297.09 g/mol. IUPAC: 2-(7-ethyl-1,3-dimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide.
Chemical Property Profile of 2-(7-Ethyl-1,3-dimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide
Property Insights of 2-(7-Ethyl-1,3-dimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide
The XLogP value of -0.3 indicates that 2-(7-Ethyl-1,3-dimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(7-Ethyl-1,3-dimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide. Following Lipinski's Rule of Five, 2-(7-Ethyl-1,3-dimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide has 1 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 2-(7-Ethyl-1,3-dimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide?
The CAS number of 2-(7-Ethyl-1,3-dimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide is 460715-53-1.
What is the molecular formula of 2-(7-Ethyl-1,3-dimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide?
The molecular formula of 2-(7-Ethyl-1,3-dimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide is C11H15N5O3S.
What is the molecular weight of 2-(7-Ethyl-1,3-dimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide?
The molecular weight of 2-(7-Ethyl-1,3-dimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide is 297.09 g/mol.
Where can I buy 2-(7-Ethyl-1,3-dimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide?
You can request a quote for 2-(7-Ethyl-1,3-dimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(7-Ethyl-1,3-dimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(7-Ethyl-1,3-dimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.