2-((7-dodecyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)-N-phenylacetamide
TL;DR: 2-((7-dodecyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)-N-phenylacetamide (CAS 370840-63-4) is a chemical compound with molecular formula C26H37N5O3S and molecular weight 499.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(7-dodecyl-3-methyl-2,6-dioxopurin-8-yl)sulfanyl-N-phenylacetamide
Also Known As: 2-((7-dodecyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)-N-phenylacetamide, 2-(7-dodecyl-3-methyl-2,6-dioxo-purin-8-yl)sulfanyl-N-phenyl-acetamide, 2-(7-dodecyl-3-methyl-2,6-dioxopurin-8-yl)sulfanyl-N-phenylacetamide, 2-[(7-dodecyl-6-hydroxy-3-methyl-2-oxo-3,7-dihydro-2H-purin-8-yl)sulfanyl]-N-phenylacetamide
| Molecular Formula | C26H37N5O3S |
|---|---|
| Molecular Weight | 499.26 g/mol |
| LogP | 5.075 |
| Topological Polar Surface Area | 101.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 15 |
| Exact Mass | 499.26172 |
| Heavy Atoms | 35 |
| Complexity | 1199.4031 |
Chemical Identifiers
| CAS Number | 370840-63-4 |
|---|---|
| SMILES | CCCCCCCCCCCCN1C2=C(N=C1SCC(=O)NC3=CC=CC=C3)N(C(=O)NC2=O)C |
Product Overview
2-((7-dodecyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)-N-phenylacetamide (CAS 370840-63-4), with molecular formula C26H37N5O3S and molecular weight 499.26 g/mol. IUPAC: 2-(7-dodecyl-3-methyl-2,6-dioxopurin-8-yl)sulfanyl-N-phenylacetamide.
Chemical Property Profile of 2-((7-dodecyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)-N-phenylacetamide
Property Insights of 2-((7-dodecyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)-N-phenylacetamide
The XLogP value of 5.075 indicates that 2-((7-dodecyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)-N-phenylacetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.78 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((7-dodecyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)-N-phenylacetamide. Following Lipinski's Rule of Five, 2-((7-dodecyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)-N-phenylacetamide has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-((7-dodecyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)-N-phenylacetamide?
The CAS number of 2-((7-dodecyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)-N-phenylacetamide is 370840-63-4.
What is the molecular formula of 2-((7-dodecyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)-N-phenylacetamide?
The molecular formula of 2-((7-dodecyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)-N-phenylacetamide is C26H37N5O3S.
What is the molecular weight of 2-((7-dodecyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)-N-phenylacetamide?
The molecular weight of 2-((7-dodecyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)-N-phenylacetamide is 499.26 g/mol.
Where can I buy 2-((7-dodecyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)-N-phenylacetamide?
You can request a quote for 2-((7-dodecyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)-N-phenylacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((7-dodecyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)-N-phenylacetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((7-dodecyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)-N-phenylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.