Methyl 2-(3-methyl-7-octyl-2,6-dioxopurin-8-yl)sulfanylacetate
TL;DR: Methyl 2-(3-methyl-7-octyl-2,6-dioxopurin-8-yl)sulfanylacetate (CAS 377053-13-9) is a chemical compound with molecular formula C17H26N4O4S and molecular weight 382.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(3-methyl-7-octyl-2,6-dioxopurin-8-yl)sulfanylacetate
Also Known As: UPCMLD0ENAT5829919:001, methyl 2-(3-methyl-7-octyl-2,6-dioxopurin-8-yl)sulfanylacetate, methyl 2-(3-methyl-7-octyl-2,6-dioxo-1,3,7-trihydropurin-8-ylthio)acetate, Methyl 2-(3-methyl-7-octyl-2,6-dioxo-purin-8-yl)sulfanylacetate, ME ((3-METHYL-7-OCTYL-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YL)THIO)ACETATE
| Molecular Formula | C17H26N4O4S |
|---|---|
| Molecular Weight | 382.17 g/mol |
| LogP | 2.0489 |
| Topological Polar Surface Area | 98.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 382.16748 |
| Heavy Atoms | 26 |
| Complexity | 867.99567 |
Chemical Identifiers
| CAS Number | 377053-13-9 |
|---|---|
| SMILES | CCCCCCCCN1C2=C(N=C1SCC(=O)OC)N(C(=O)NC2=O)C |
Product Overview
Methyl 2-(3-methyl-7-octyl-2,6-dioxopurin-8-yl)sulfanylacetate (CAS 377053-13-9), with molecular formula C17H26N4O4S and molecular weight 382.17 g/mol. IUPAC: methyl 2-(3-methyl-7-octyl-2,6-dioxopurin-8-yl)sulfanylacetate.
Chemical Property Profile of Methyl 2-(3-methyl-7-octyl-2,6-dioxopurin-8-yl)sulfanylacetate
Property Insights of Methyl 2-(3-methyl-7-octyl-2,6-dioxopurin-8-yl)sulfanylacetate
The XLogP value of 2.0489 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(3-methyl-7-octyl-2,6-dioxopurin-8-yl)sulfanylacetate. The TPSA of 98.98 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-(3-methyl-7-octyl-2,6-dioxopurin-8-yl)sulfanylacetate. Following Lipinski's Rule of Five, Methyl 2-(3-methyl-7-octyl-2,6-dioxopurin-8-yl)sulfanylacetate 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 Methyl 2-(3-methyl-7-octyl-2,6-dioxopurin-8-yl)sulfanylacetate?
The CAS number of Methyl 2-(3-methyl-7-octyl-2,6-dioxopurin-8-yl)sulfanylacetate is 377053-13-9.
What is the molecular formula of Methyl 2-(3-methyl-7-octyl-2,6-dioxopurin-8-yl)sulfanylacetate?
The molecular formula of Methyl 2-(3-methyl-7-octyl-2,6-dioxopurin-8-yl)sulfanylacetate is C17H26N4O4S.
What is the molecular weight of Methyl 2-(3-methyl-7-octyl-2,6-dioxopurin-8-yl)sulfanylacetate?
The molecular weight of Methyl 2-(3-methyl-7-octyl-2,6-dioxopurin-8-yl)sulfanylacetate is 382.17 g/mol.
Where can I buy Methyl 2-(3-methyl-7-octyl-2,6-dioxopurin-8-yl)sulfanylacetate?
You can request a quote for Methyl 2-(3-methyl-7-octyl-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 Methyl 2-(3-methyl-7-octyl-2,6-dioxopurin-8-yl)sulfanylacetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(3-methyl-7-octyl-2,6-dioxopurin-8-yl)sulfanylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.