![methyl 2-[7-[(E)-but-2-enyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylpropanoate structure](/static/products/483/483277-33-4.png)
methyl 2-[7-[(E)-but-2-enyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylpropanoate
TL;DR: methyl 2-[7-[(E)-but-2-enyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylpropanoate (CAS 483277-33-4) is a chemical compound with molecular formula C14H18N4O4S and molecular weight 338.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[7-[(E)-but-2-enyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylpropanoate
Also Known As: methyl 2-[7-[(E)-but-2-enyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylpropanoate, F0372-0591, (E)-methyl 2-((7-(but-2-en-1-yl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)propanoate, methyl 2-{[7-(2-butenyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}propanoate
| Molecular Formula | C14H18N4O4S |
|---|---|
| Molecular Weight | 338.10 g/mol |
| LogP | 0.653 |
| Topological Polar Surface Area | 98.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 338.1049 |
| Heavy Atoms | 23 |
| Complexity | 877.2552 |
Chemical Identifiers
| CAS Number | 483277-33-4 |
|---|---|
| SMILES | C/C=C/CN1C2=C(N=C1SC(C)C(=O)OC)N(C(=O)NC2=O)C |
Product Overview
methyl 2-[7-[(E)-but-2-enyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylpropanoate (CAS 483277-33-4), with molecular formula C14H18N4O4S and molecular weight 338.10 g/mol. IUPAC: methyl 2-[7-[(E)-but-2-enyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylpropanoate.
Chemical Property Profile of methyl 2-[7-[(E)-but-2-enyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylpropanoate
Property Insights of methyl 2-[7-[(E)-but-2-enyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylpropanoate
The XLogP value of 0.653 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-[7-[(E)-but-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 methyl 2-[7-[(E)-but-2-enyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylpropanoate. Following Lipinski's Rule of Five, methyl 2-[7-[(E)-but-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 methyl 2-[7-[(E)-but-2-enyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylpropanoate?
The CAS number of methyl 2-[7-[(E)-but-2-enyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylpropanoate is 483277-33-4.
What is the molecular formula of methyl 2-[7-[(E)-but-2-enyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylpropanoate?
The molecular formula of methyl 2-[7-[(E)-but-2-enyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylpropanoate is C14H18N4O4S.
What is the molecular weight of methyl 2-[7-[(E)-but-2-enyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylpropanoate?
The molecular weight of methyl 2-[7-[(E)-but-2-enyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylpropanoate is 338.10 g/mol.
Where can I buy methyl 2-[7-[(E)-but-2-enyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylpropanoate?
You can request a quote for methyl 2-[7-[(E)-but-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 methyl 2-[7-[(E)-but-2-enyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-[7-[(E)-but-2-enyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.