2-(1,3,9-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetic acid
TL;DR: 2-(1,3,9-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetic acid (CAS 7465-04-5) is a chemical compound with molecular formula C10H12N4O4S and molecular weight 284.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3,9-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetic acid
Also Known As: 2-(1,3,9-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetic acid, [(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]acetic acid, Aceticacid, 2-[(2,3,6,9-tetrahydro-1,3,9-trimethyl-2,6-dioxo-1H-purin-8-yl)thio]-
| Molecular Formula | C10H12N4O4S |
|---|---|
| Molecular Weight | 284.06 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 284.05792 |
| Heavy Atoms | 19 |
| Complexity | 432.0 |
Chemical Identifiers
| CAS Number | 7465-04-5 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C(=O)N2C)C)N=C1SCC(=O)O |
| InChIKey | ZZFILLWIULOMBV-UHFFFAOYSA-N |
Product Overview
2-(1,3,9-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetic acid (CAS 7465-04-5), with molecular formula C10H12N4O4S and molecular weight 284.06 g/mol. IUPAC: 2-(1,3,9-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetic acid.
Chemical Property Profile of 2-(1,3,9-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetic acid
Property Insights of 2-(1,3,9-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetic acid
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,3,9-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetic acid. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3,9-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetic acid. Following Lipinski's Rule of Five, 2-(1,3,9-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetic acid 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-(1,3,9-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetic acid?
The CAS number of 2-(1,3,9-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetic acid is 7465-04-5.
What is the molecular formula of 2-(1,3,9-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetic acid?
The molecular formula of 2-(1,3,9-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetic acid is C10H12N4O4S.
What is the molecular weight of 2-(1,3,9-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetic acid?
The molecular weight of 2-(1,3,9-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetic acid is 284.06 g/mol.
Where can I buy 2-(1,3,9-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetic acid?
You can request a quote for 2-(1,3,9-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3,9-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3,9-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.