1-Ethenyl butanedioate
TL;DR: 1-Ethenyl butanedioate (CAS 44912-22-3) is a chemical compound with molecular formula C6H8O4 and molecular weight 144.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethenoxy-4-oxobutanoic acid
Also Known As: Vinyl hydrogen succinate, 1-Ethenyl butanedioate, 4-ethenoxy-4-oxobutanoic acid, EINECS 256-169-8, 4-ethenoxy-4-oxo-butanoic acid
| Molecular Formula | C6H8O4 |
|---|---|
| Molecular Weight | 144.04 g/mol |
| LogP | 0.5379 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 144.04225 |
| Heavy Atoms | 10 |
| Complexity | 149.82681 |
Chemical Identifiers
| CAS Number | 44912-22-3 |
|---|---|
| SMILES | C=COC(=O)CCC(=O)O |
Product Overview
1-Ethenyl butanedioate (CAS 44912-22-3), with molecular formula C6H8O4 and molecular weight 144.04 g/mol. IUPAC: 4-ethenoxy-4-oxobutanoic acid.
Chemical Property Profile of 1-Ethenyl butanedioate
Property Insights of 1-Ethenyl butanedioate
The XLogP value of 0.5379 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Ethenyl butanedioate. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Ethenyl butanedioate. Following Lipinski's Rule of Five, 1-Ethenyl butanedioate has 1 hydrogen bond donor(s) and 3 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 1-Ethenyl butanedioate?
The CAS number of 1-Ethenyl butanedioate is 44912-22-3.
What is the molecular formula of 1-Ethenyl butanedioate?
The molecular formula of 1-Ethenyl butanedioate is C6H8O4.
What is the molecular weight of 1-Ethenyl butanedioate?
The molecular weight of 1-Ethenyl butanedioate is 144.04 g/mol.
Where can I buy 1-Ethenyl butanedioate?
You can request a quote for 1-Ethenyl butanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Ethenyl butanedioate?
Yes, KEHONG BIO provides custom synthesis services for 1-Ethenyl butanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.