Propan-2-yl 2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetate
TL;DR: Propan-2-yl 2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetate (CAS 460725-20-6) is a chemical compound with molecular formula C13H18N4O4S and molecular weight 326.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetate
Also Known As: ASN 04373549, VU0608012-1, F3260-0966, propan-2-yl 2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetate, isopropyl 2-((1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetate
| Molecular Formula | C13H18N4O4S |
|---|---|
| Molecular Weight | 326.10 g/mol |
| LogP | 0.0144 |
| Topological Polar Surface Area | 88.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 326.1049 |
| Heavy Atoms | 22 |
| Complexity | 846.31287 |
Chemical Identifiers
| CAS Number | 460725-20-6 |
|---|---|
| SMILES | CC(C)OC(=O)CSC1=NC2=C(N1C)C(=O)N(C(=O)N2C)C |
Product Overview
Propan-2-yl 2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetate (CAS 460725-20-6), with molecular formula C13H18N4O4S and molecular weight 326.10 g/mol. IUPAC: propan-2-yl 2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetate.
Chemical Property Profile of Propan-2-yl 2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetate
Property Insights of Propan-2-yl 2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetate
The XLogP value of 0.0144 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propan-2-yl 2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetate. The TPSA of 88.12 Ų falls within the moderate polarity range, balancing permeability and solubility for Propan-2-yl 2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetate. Following Lipinski's Rule of Five, Propan-2-yl 2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetate has 0 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 Propan-2-yl 2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetate?
The CAS number of Propan-2-yl 2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetate is 460725-20-6.
What is the molecular formula of Propan-2-yl 2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetate?
The molecular formula of Propan-2-yl 2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetate is C13H18N4O4S.
What is the molecular weight of Propan-2-yl 2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetate?
The molecular weight of Propan-2-yl 2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetate is 326.10 g/mol.
Where can I buy Propan-2-yl 2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetate?
You can request a quote for Propan-2-yl 2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propan-2-yl 2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetate?
Yes, KEHONG BIO provides custom synthesis services for Propan-2-yl 2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.