2-(7-dodecyl-3-methyl-2,6-dioxo-purin-8-yl)sulfanylacetamide
TL;DR: 2-(7-dodecyl-3-methyl-2,6-dioxo-purin-8-yl)sulfanylacetamide (CAS 327169-67-5) is a chemical compound with molecular formula C20H33N5O3S and molecular weight 423.23 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)sulfanylacetamide
Also Known As: 2-(7-dodecyl-3-methyl-2,6-dioxo-purin-8-yl)sulfanylacetamide, 2-(7-dodecyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetamide, 2-[(7-dodecyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetamide, 2-((7-dodecyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetamide
| Molecular Formula | C20H33N5O3S |
|---|---|
| Molecular Weight | 423.23 g/mol |
| LogP | 2.9216 |
| Topological Polar Surface Area | 115.77 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 14 |
| Exact Mass | 423.2304 |
| Heavy Atoms | 29 |
| Complexity | 915.20306 |
Chemical Identifiers
| CAS Number | 327169-67-5 |
|---|---|
| SMILES | CCCCCCCCCCCCN1C2=C(N=C1SCC(=O)N)N(C(=O)NC2=O)C |
Product Overview
2-(7-dodecyl-3-methyl-2,6-dioxo-purin-8-yl)sulfanylacetamide (CAS 327169-67-5), with molecular formula C20H33N5O3S and molecular weight 423.23 g/mol. IUPAC: 2-(7-dodecyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetamide.
Chemical Property Profile of 2-(7-dodecyl-3-methyl-2,6-dioxo-purin-8-yl)sulfanylacetamide
Property Insights of 2-(7-dodecyl-3-methyl-2,6-dioxo-purin-8-yl)sulfanylacetamide
The XLogP value of 2.9216 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(7-dodecyl-3-methyl-2,6-dioxo-purin-8-yl)sulfanylacetamide. The TPSA of 115.77 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(7-dodecyl-3-methyl-2,6-dioxo-purin-8-yl)sulfanylacetamide. Following Lipinski's Rule of Five, 2-(7-dodecyl-3-methyl-2,6-dioxo-purin-8-yl)sulfanylacetamide 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 2-(7-dodecyl-3-methyl-2,6-dioxo-purin-8-yl)sulfanylacetamide?
The CAS number of 2-(7-dodecyl-3-methyl-2,6-dioxo-purin-8-yl)sulfanylacetamide is 327169-67-5.
What is the molecular formula of 2-(7-dodecyl-3-methyl-2,6-dioxo-purin-8-yl)sulfanylacetamide?
The molecular formula of 2-(7-dodecyl-3-methyl-2,6-dioxo-purin-8-yl)sulfanylacetamide is C20H33N5O3S.
What is the molecular weight of 2-(7-dodecyl-3-methyl-2,6-dioxo-purin-8-yl)sulfanylacetamide?
The molecular weight of 2-(7-dodecyl-3-methyl-2,6-dioxo-purin-8-yl)sulfanylacetamide is 423.23 g/mol.
Where can I buy 2-(7-dodecyl-3-methyl-2,6-dioxo-purin-8-yl)sulfanylacetamide?
You can request a quote for 2-(7-dodecyl-3-methyl-2,6-dioxo-purin-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-dodecyl-3-methyl-2,6-dioxo-purin-8-yl)sulfanylacetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(7-dodecyl-3-methyl-2,6-dioxo-purin-8-yl)sulfanylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.