![ethyl 2-[7-[(Z)-3-chlorobut-2-enyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylpropanoate structure](/static/products/114/1146248-03-4.png)
ethyl 2-[7-[(Z)-3-chlorobut-2-enyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylpropanoate
TL;DR: ethyl 2-[7-[(Z)-3-chlorobut-2-enyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylpropanoate (CAS 1146248-03-4) is a chemical compound with molecular formula C15H19ClN4O4S and molecular weight 386.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[7-[(Z)-3-chlorobut-2-enyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylpropanoate
Also Known As: ethyl 2-[7-[(Z)-3-chlorobut-2-enyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylpropanoate, (Z)-ethyl 2-((7-(3-chlorobut-2-en-1-yl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)propanoate, 2-[[7-[(Z)-3-chlorobut-2-enyl]-2,6-diketo-3-methyl-purin-8-yl]thio]propionic acid ethyl ester, 2-[[7-[(Z)-3-chlorobut-2-enyl]-3-methyl-2,6-dioxo-8-purinyl]thio]propanoic acid ethyl ester, ethyl 2-({7-[(2Z)-3-chlorobut-2-en-1-yl]-6-hydroxy-3-methyl-2-oxo-3,7-dihydro-2H-purin-8-yl}sulfanyl)propanoate
| Molecular Formula | C15H19ClN4O4S |
|---|---|
| Molecular Weight | 386.08 g/mol |
| LogP | 1.6096 |
| Topological Polar Surface Area | 98.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 386.08154 |
| Heavy Atoms | 25 |
| Complexity | 939.38007 |
Chemical Identifiers
| CAS Number | 1146248-03-4 |
|---|---|
| SMILES | CCOC(=O)C(C)SC1=NC2=C(N1C/C=C(/C)\Cl)C(=O)NC(=O)N2C |
Product Overview
ethyl 2-[7-[(Z)-3-chlorobut-2-enyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylpropanoate (CAS 1146248-03-4), with molecular formula C15H19ClN4O4S and molecular weight 386.08 g/mol. IUPAC: ethyl 2-[7-[(Z)-3-chlorobut-2-enyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylpropanoate.
Chemical Property Profile of ethyl 2-[7-[(Z)-3-chlorobut-2-enyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylpropanoate
Property Insights of ethyl 2-[7-[(Z)-3-chlorobut-2-enyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylpropanoate
The XLogP value of 1.6096 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-[7-[(Z)-3-chlorobut-2-enyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylpropanoate. The TPSA of 98.98 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-[7-[(Z)-3-chlorobut-2-enyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylpropanoate. Following Lipinski's Rule of Five, ethyl 2-[7-[(Z)-3-chlorobut-2-enyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylpropanoate 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 ethyl 2-[7-[(Z)-3-chlorobut-2-enyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylpropanoate?
The CAS number of ethyl 2-[7-[(Z)-3-chlorobut-2-enyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylpropanoate is 1146248-03-4.
What is the molecular formula of ethyl 2-[7-[(Z)-3-chlorobut-2-enyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylpropanoate?
The molecular formula of ethyl 2-[7-[(Z)-3-chlorobut-2-enyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylpropanoate is C15H19ClN4O4S.
What is the molecular weight of ethyl 2-[7-[(Z)-3-chlorobut-2-enyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylpropanoate?
The molecular weight of ethyl 2-[7-[(Z)-3-chlorobut-2-enyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylpropanoate is 386.08 g/mol.
Where can I buy ethyl 2-[7-[(Z)-3-chlorobut-2-enyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylpropanoate?
You can request a quote for ethyl 2-[7-[(Z)-3-chlorobut-2-enyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-[7-[(Z)-3-chlorobut-2-enyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-[7-[(Z)-3-chlorobut-2-enyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.