1-(Ethoxycarbonyl)-1,3-dioxobutan-2-ide
TL;DR: 1-(Ethoxycarbonyl)-1,3-dioxobutan-2-ide (CAS 733675-72-4) is a chemical compound with molecular formula C7H9O4- and molecular weight 157.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-1-ethoxy-1,4-dioxopent-2-en-2-olate
Also Known As: 1-(Ethoxycarbonyl)-1,3-dioxobutan-2-ide, (Z)-1-ethoxy-1,4-dioxopent-2-en-2-olate
| Molecular Formula | C7H9O4- |
|---|---|
| Molecular Weight | 157.05 g/mol |
| LogP | -0.6173 |
| Topological Polar Surface Area | 66.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 157.05008 |
| Heavy Atoms | 11 |
| Complexity | 192.61725 |
Chemical Identifiers
| CAS Number | 733675-72-4 |
|---|---|
| SMILES | CCOC(=O)/C(=C/C(=O)C)/[O-] |
Product Overview
1-(Ethoxycarbonyl)-1,3-dioxobutan-2-ide (CAS 733675-72-4), with molecular formula C7H9O4- and molecular weight 157.05 g/mol. IUPAC: (Z)-1-ethoxy-1,4-dioxopent-2-en-2-olate.
Chemical Property Profile of 1-(Ethoxycarbonyl)-1,3-dioxobutan-2-ide
Property Insights of 1-(Ethoxycarbonyl)-1,3-dioxobutan-2-ide
The XLogP value of -0.6173 indicates that 1-(Ethoxycarbonyl)-1,3-dioxobutan-2-ide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 66.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(Ethoxycarbonyl)-1,3-dioxobutan-2-ide. Following Lipinski's Rule of Five, 1-(Ethoxycarbonyl)-1,3-dioxobutan-2-ide has 0 hydrogen bond donor(s) and 4 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-(Ethoxycarbonyl)-1,3-dioxobutan-2-ide?
The CAS number of 1-(Ethoxycarbonyl)-1,3-dioxobutan-2-ide is 733675-72-4.
What is the molecular formula of 1-(Ethoxycarbonyl)-1,3-dioxobutan-2-ide?
The molecular formula of 1-(Ethoxycarbonyl)-1,3-dioxobutan-2-ide is C7H9O4-.
What is the molecular weight of 1-(Ethoxycarbonyl)-1,3-dioxobutan-2-ide?
The molecular weight of 1-(Ethoxycarbonyl)-1,3-dioxobutan-2-ide is 157.05 g/mol.
Where can I buy 1-(Ethoxycarbonyl)-1,3-dioxobutan-2-ide?
You can request a quote for 1-(Ethoxycarbonyl)-1,3-dioxobutan-2-ide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Ethoxycarbonyl)-1,3-dioxobutan-2-ide?
Yes, KEHONG BIO provides custom synthesis services for 1-(Ethoxycarbonyl)-1,3-dioxobutan-2-ide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.