Benzyl 2-(7-benzyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetate
TL;DR: Benzyl 2-(7-benzyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetate (CAS 377056-99-0) is a chemical compound with molecular formula C22H20N4O4S and molecular weight 436.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-(7-benzyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetate
Also Known As: BAS 03301923, J2.630.533K, AB00673513-01, AB00673513-02, benzyl 2-(7-benzyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetate
| Molecular Formula | C22H20N4O4S |
|---|---|
| Molecular Weight | 436.12 g/mol |
| LogP | 2.3071 |
| Topological Polar Surface Area | 98.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 436.1205 |
| Heavy Atoms | 31 |
| Complexity | 1326.8824 |
Chemical Identifiers
| CAS Number | 377056-99-0 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(=O)OCC3=CC=CC=C3)CC4=CC=CC=C4 |
Product Overview
Benzyl 2-(7-benzyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetate (CAS 377056-99-0), with molecular formula C22H20N4O4S and molecular weight 436.12 g/mol. IUPAC: benzyl 2-(7-benzyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetate.
Chemical Property Profile of Benzyl 2-(7-benzyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetate
Property Insights of Benzyl 2-(7-benzyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetate
The XLogP value of 2.3071 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl 2-(7-benzyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetate. The TPSA of 98.98 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzyl 2-(7-benzyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetate. Following Lipinski's Rule of Five, Benzyl 2-(7-benzyl-3-methyl-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 Benzyl 2-(7-benzyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetate?
The CAS number of Benzyl 2-(7-benzyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetate is 377056-99-0.
What is the molecular formula of Benzyl 2-(7-benzyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetate?
The molecular formula of Benzyl 2-(7-benzyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetate is C22H20N4O4S.
What is the molecular weight of Benzyl 2-(7-benzyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetate?
The molecular weight of Benzyl 2-(7-benzyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetate is 436.12 g/mol.
Where can I buy Benzyl 2-(7-benzyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetate?
You can request a quote for Benzyl 2-(7-benzyl-3-methyl-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 Benzyl 2-(7-benzyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 2-(7-benzyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.