2-(3-Methyl-2,6-dioxo-7-propylpurin-8-yl)sulfanylacetic acid
TL;DR: 2-(3-Methyl-2,6-dioxo-7-propylpurin-8-yl)sulfanylacetic acid (CAS 189150-00-3) is a chemical compound with molecular formula C11H14N4O4S and molecular weight 298.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-methyl-2,6-dioxo-7-propylpurin-8-yl)sulfanylacetic acid
Also Known As: BAS 00162659, AB00094179-01, AB00094179-02, AB00094179-03, 2-(3-methyl-2,6-dioxo-7-propylpurin-8-yl)sulfanylacetic acid
| Molecular Formula | C11H14N4O4S |
|---|---|
| Molecular Weight | 298.07 g/mol |
| LogP | 0.01 |
| Topological Polar Surface Area | 109.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 298.07358 |
| Heavy Atoms | 20 |
| Complexity | 773.0467 |
Chemical Identifiers
| CAS Number | 189150-00-3 |
|---|---|
| SMILES | CCCN1C2=C(N=C1SCC(=O)O)N(C(=O)NC2=O)C |
Product Overview
2-(3-Methyl-2,6-dioxo-7-propylpurin-8-yl)sulfanylacetic acid (CAS 189150-00-3), with molecular formula C11H14N4O4S and molecular weight 298.07 g/mol. IUPAC: 2-(3-methyl-2,6-dioxo-7-propylpurin-8-yl)sulfanylacetic acid.
Chemical Property Profile of 2-(3-Methyl-2,6-dioxo-7-propylpurin-8-yl)sulfanylacetic acid
Property Insights of 2-(3-Methyl-2,6-dioxo-7-propylpurin-8-yl)sulfanylacetic acid
The XLogP value of 0.01 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-Methyl-2,6-dioxo-7-propylpurin-8-yl)sulfanylacetic acid. The TPSA of 109.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-Methyl-2,6-dioxo-7-propylpurin-8-yl)sulfanylacetic acid. Following Lipinski's Rule of Five, 2-(3-Methyl-2,6-dioxo-7-propylpurin-8-yl)sulfanylacetic acid 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-(3-Methyl-2,6-dioxo-7-propylpurin-8-yl)sulfanylacetic acid?
The CAS number of 2-(3-Methyl-2,6-dioxo-7-propylpurin-8-yl)sulfanylacetic acid is 189150-00-3.
What is the molecular formula of 2-(3-Methyl-2,6-dioxo-7-propylpurin-8-yl)sulfanylacetic acid?
The molecular formula of 2-(3-Methyl-2,6-dioxo-7-propylpurin-8-yl)sulfanylacetic acid is C11H14N4O4S.
What is the molecular weight of 2-(3-Methyl-2,6-dioxo-7-propylpurin-8-yl)sulfanylacetic acid?
The molecular weight of 2-(3-Methyl-2,6-dioxo-7-propylpurin-8-yl)sulfanylacetic acid is 298.07 g/mol.
Where can I buy 2-(3-Methyl-2,6-dioxo-7-propylpurin-8-yl)sulfanylacetic acid?
You can request a quote for 2-(3-Methyl-2,6-dioxo-7-propylpurin-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-(3-Methyl-2,6-dioxo-7-propylpurin-8-yl)sulfanylacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Methyl-2,6-dioxo-7-propylpurin-8-yl)sulfanylacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.