2-((1,3-dimethyl-7-(2-methylallyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetic acid
TL;DR: 2-((1,3-dimethyl-7-(2-methylallyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetic acid (CAS 374616-18-9) is a chemical compound with molecular formula C13H16N4O4S and molecular weight 324.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1,3-dimethyl-7-(2-methylprop-2-enyl)-2,6-dioxopurin-8-yl]sulfanylacetic acid
Also Known As: 2-((1,3-dimethyl-7-(2-methylallyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetic acid, AB01278582-01, F3259-0302, 2-[1,3-dimethyl-7-(2-methylprop-2-enyl)-2,6-dioxopurin-8-yl]sulfanylacetic acid, {[1,3-dimethyl-7-(2-methyl-2-propenyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetic acid
| Molecular Formula | C13H16N4O4S |
|---|---|
| Molecular Weight | 324.09 g/mol |
| LogP | 0.1865 |
| Topological Polar Surface Area | 99.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 324.08923 |
| Heavy Atoms | 22 |
| Complexity | 890.04785 |
Chemical Identifiers
| CAS Number | 374616-18-9 |
|---|---|
| SMILES | CC(=C)CN1C2=C(N=C1SCC(=O)O)N(C(=O)N(C2=O)C)C |
Product Overview
2-((1,3-dimethyl-7-(2-methylallyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetic acid (CAS 374616-18-9), with molecular formula C13H16N4O4S and molecular weight 324.09 g/mol. IUPAC: 2-[1,3-dimethyl-7-(2-methylprop-2-enyl)-2,6-dioxopurin-8-yl]sulfanylacetic acid.
Chemical Property Profile of 2-((1,3-dimethyl-7-(2-methylallyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetic acid
Property Insights of 2-((1,3-dimethyl-7-(2-methylallyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetic acid
The XLogP value of 0.1865 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((1,3-dimethyl-7-(2-methylallyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetic acid. The TPSA of 99.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((1,3-dimethyl-7-(2-methylallyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetic acid. Following Lipinski's Rule of Five, 2-((1,3-dimethyl-7-(2-methylallyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetic acid 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-((1,3-dimethyl-7-(2-methylallyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetic acid?
The CAS number of 2-((1,3-dimethyl-7-(2-methylallyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetic acid is 374616-18-9.
What is the molecular formula of 2-((1,3-dimethyl-7-(2-methylallyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetic acid?
The molecular formula of 2-((1,3-dimethyl-7-(2-methylallyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetic acid is C13H16N4O4S.
What is the molecular weight of 2-((1,3-dimethyl-7-(2-methylallyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetic acid?
The molecular weight of 2-((1,3-dimethyl-7-(2-methylallyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetic acid is 324.09 g/mol.
Where can I buy 2-((1,3-dimethyl-7-(2-methylallyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetic acid?
You can request a quote for 2-((1,3-dimethyl-7-(2-methylallyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetic acid 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-7-(2-methylallyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((1,3-dimethyl-7-(2-methylallyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.