![Ethyl 2-[4-[2-(1,3-diethyl-7-methyl-2,6-dioxopurin-8-yl)ethenyl]phenoxy]acetate structure](/static/products/1552/155272-10-9.webp)
Ethyl 2-[4-[2-(1,3-diethyl-7-methyl-2,6-dioxopurin-8-yl)ethenyl]phenoxy]acetate
TL;DR: Ethyl 2-[4-[2-(1,3-diethyl-7-methyl-2,6-dioxopurin-8-yl)ethenyl]phenoxy]acetate (CAS 155272-10-9) is a chemical compound with molecular formula C22H26N4O5 and molecular weight 426.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[4-[2-(1,3-diethyl-7-methyl-2,6-dioxopurin-8-yl)ethenyl]phenoxy]acetate
Also Known As: (E)-8-(4-Ethoxycarbonylmethoxystyryl)-1,3-diethyl-7-methylxanthine, Acetic acid, (4-(2-(1,3-diethyl-2,3,6,7-tetrahydro-7-methyl-2,6-dioxo-1H-purin-8-yl)ethenyl)phenoxy)-, ethyl ester, (E)-, Acetic acid,[4-[2-(1,3-diethyl-2,3,6,7-tetrahydro-7-methyl-2,6-dioxo-1H-purin-8-yl)ethenyl]phenoxy]-,ethyl ester, (E)- (9CI)
| Molecular Formula | C22H26N4O5 |
|---|---|
| Molecular Weight | 426.19 g/mol |
| LogP | 2.0488 |
| Topological Polar Surface Area | 97.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 426.1903 |
| Heavy Atoms | 31 |
| Complexity | 1231.9954 |
Chemical Identifiers
| CAS Number | 155272-10-9 |
|---|---|
| SMILES | CCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)C=CC3=CC=C(C=C3)OCC(=O)OCC)C |
Product Overview
Ethyl 2-[4-[2-(1,3-diethyl-7-methyl-2,6-dioxopurin-8-yl)ethenyl]phenoxy]acetate (CAS 155272-10-9), with molecular formula C22H26N4O5 and molecular weight 426.19 g/mol. IUPAC: ethyl 2-[4-[2-(1,3-diethyl-7-methyl-2,6-dioxopurin-8-yl)ethenyl]phenoxy]acetate.
Chemical Property Profile of Ethyl 2-[4-[2-(1,3-diethyl-7-methyl-2,6-dioxopurin-8-yl)ethenyl]phenoxy]acetate
Property Insights of Ethyl 2-[4-[2-(1,3-diethyl-7-methyl-2,6-dioxopurin-8-yl)ethenyl]phenoxy]acetate
The XLogP value of 2.0488 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-[4-[2-(1,3-diethyl-7-methyl-2,6-dioxopurin-8-yl)ethenyl]phenoxy]acetate. The TPSA of 97.35 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-[4-[2-(1,3-diethyl-7-methyl-2,6-dioxopurin-8-yl)ethenyl]phenoxy]acetate. Following Lipinski's Rule of Five, Ethyl 2-[4-[2-(1,3-diethyl-7-methyl-2,6-dioxopurin-8-yl)ethenyl]phenoxy]acetate 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 Ethyl 2-[4-[2-(1,3-diethyl-7-methyl-2,6-dioxopurin-8-yl)ethenyl]phenoxy]acetate?
The CAS number of Ethyl 2-[4-[2-(1,3-diethyl-7-methyl-2,6-dioxopurin-8-yl)ethenyl]phenoxy]acetate is 155272-10-9.
What is the molecular formula of Ethyl 2-[4-[2-(1,3-diethyl-7-methyl-2,6-dioxopurin-8-yl)ethenyl]phenoxy]acetate?
The molecular formula of Ethyl 2-[4-[2-(1,3-diethyl-7-methyl-2,6-dioxopurin-8-yl)ethenyl]phenoxy]acetate is C22H26N4O5.
What is the molecular weight of Ethyl 2-[4-[2-(1,3-diethyl-7-methyl-2,6-dioxopurin-8-yl)ethenyl]phenoxy]acetate?
The molecular weight of Ethyl 2-[4-[2-(1,3-diethyl-7-methyl-2,6-dioxopurin-8-yl)ethenyl]phenoxy]acetate is 426.19 g/mol.
Where can I buy Ethyl 2-[4-[2-(1,3-diethyl-7-methyl-2,6-dioxopurin-8-yl)ethenyl]phenoxy]acetate?
You can request a quote for Ethyl 2-[4-[2-(1,3-diethyl-7-methyl-2,6-dioxopurin-8-yl)ethenyl]phenoxy]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-[4-[2-(1,3-diethyl-7-methyl-2,6-dioxopurin-8-yl)ethenyl]phenoxy]acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[4-[2-(1,3-diethyl-7-methyl-2,6-dioxopurin-8-yl)ethenyl]phenoxy]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.