2-(7-but-2-enyl-3-methyl-2,6-dioxo-purin-8-yl)sulfanylpropanoic Acid
TL;DR: 2-(7-but-2-enyl-3-methyl-2,6-dioxo-purin-8-yl)sulfanylpropanoic Acid (CAS 306732-98-9) is a chemical compound with molecular formula C13H16N4O4S and molecular weight 324.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[7-[(E)-but-2-enyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylpropanoic acid
Also Known As: 2-(7-but-2-enyl-3-methyl-2,6-dioxo-purin-8-yl)sulfanylpropanoic Acid, 2-[7-[(E)-but-2-enyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylpropanoic acid, (E)-2-((7-(but-2-en-1-yl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)propanoic acid, 2-({7-[(2E)-but-2-en-1-yl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)propanoic acid
| Molecular Formula | C13H16N4O4S |
|---|---|
| Molecular Weight | 324.09 g/mol |
| LogP | 0.5646 |
| Topological Polar Surface Area | 109.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 324.08923 |
| Heavy Atoms | 22 |
| Complexity | 861.2728 |
Chemical Identifiers
| CAS Number | 306732-98-9 |
|---|---|
| SMILES | C/C=C/CN1C2=C(N=C1SC(C)C(=O)O)N(C(=O)NC2=O)C |
Product Overview
2-(7-but-2-enyl-3-methyl-2,6-dioxo-purin-8-yl)sulfanylpropanoic Acid (CAS 306732-98-9), with molecular formula C13H16N4O4S and molecular weight 324.09 g/mol. IUPAC: 2-[7-[(E)-but-2-enyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylpropanoic acid.
Chemical Property Profile of 2-(7-but-2-enyl-3-methyl-2,6-dioxo-purin-8-yl)sulfanylpropanoic Acid
Property Insights of 2-(7-but-2-enyl-3-methyl-2,6-dioxo-purin-8-yl)sulfanylpropanoic Acid
The XLogP value of 0.5646 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(7-but-2-enyl-3-methyl-2,6-dioxo-purin-8-yl)sulfanylpropanoic Acid. The TPSA of 109.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(7-but-2-enyl-3-methyl-2,6-dioxo-purin-8-yl)sulfanylpropanoic Acid. Following Lipinski's Rule of Five, 2-(7-but-2-enyl-3-methyl-2,6-dioxo-purin-8-yl)sulfanylpropanoic Acid has 2 hydrogen bond donor(s) and 5 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 2-(7-but-2-enyl-3-methyl-2,6-dioxo-purin-8-yl)sulfanylpropanoic Acid?
The CAS number of 2-(7-but-2-enyl-3-methyl-2,6-dioxo-purin-8-yl)sulfanylpropanoic Acid is 306732-98-9.
What is the molecular formula of 2-(7-but-2-enyl-3-methyl-2,6-dioxo-purin-8-yl)sulfanylpropanoic Acid?
The molecular formula of 2-(7-but-2-enyl-3-methyl-2,6-dioxo-purin-8-yl)sulfanylpropanoic Acid is C13H16N4O4S.
What is the molecular weight of 2-(7-but-2-enyl-3-methyl-2,6-dioxo-purin-8-yl)sulfanylpropanoic Acid?
The molecular weight of 2-(7-but-2-enyl-3-methyl-2,6-dioxo-purin-8-yl)sulfanylpropanoic Acid is 324.09 g/mol.
Where can I buy 2-(7-but-2-enyl-3-methyl-2,6-dioxo-purin-8-yl)sulfanylpropanoic Acid?
You can request a quote for 2-(7-but-2-enyl-3-methyl-2,6-dioxo-purin-8-yl)sulfanylpropanoic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(7-but-2-enyl-3-methyl-2,6-dioxo-purin-8-yl)sulfanylpropanoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(7-but-2-enyl-3-methyl-2,6-dioxo-purin-8-yl)sulfanylpropanoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.