4-Ethoxy-2,3-dihydroxy-4-oxobutanoic acid
TL;DR: 4-Ethoxy-2,3-dihydroxy-4-oxobutanoic acid (CAS 97451-46-2) is a chemical compound with molecular formula C6H10O6 and molecular weight 178.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethoxy-2,3-dihydroxy-4-oxobutanoic acid
Also Known As: ethyl bitartrate, monoethyl tartrate, Ethyl tartrate, acid, Ethyl acid tartrate, Varenicline Impurity 4
| Molecular Formula | C6H10O6 |
|---|---|
| Molecular Weight | 178.05 g/mol |
| LogP | -1.0 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 178.04774 |
| Heavy Atoms | 12 |
| Complexity | 177.0 |
Chemical Identifiers
| CAS Number | 97451-46-2 |
|---|---|
| SMILES | CCOC(=O)C(C(C(=O)O)O)O |
| InChIKey | ZUDZWKJBYZAGBS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Ethoxy-2,3-dihydroxy-4-oxobutanoic acid (CAS 97451-46-2), with molecular formula C6H10O6 and molecular weight 178.05 g/mol. IUPAC: 4-ethoxy-2,3-dihydroxy-4-oxobutanoic acid.
Chemical Property Profile of 4-Ethoxy-2,3-dihydroxy-4-oxobutanoic acid
Property Insights of 4-Ethoxy-2,3-dihydroxy-4-oxobutanoic acid
The XLogP value of -1.0 indicates that 4-Ethoxy-2,3-dihydroxy-4-oxobutanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Ethoxy-2,3-dihydroxy-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-Ethoxy-2,3-dihydroxy-4-oxobutanoic acid has 3 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 4-Ethoxy-2,3-dihydroxy-4-oxobutanoic acid?
The CAS number of 4-Ethoxy-2,3-dihydroxy-4-oxobutanoic acid is 97451-46-2.
What is the molecular formula of 4-Ethoxy-2,3-dihydroxy-4-oxobutanoic acid?
The molecular formula of 4-Ethoxy-2,3-dihydroxy-4-oxobutanoic acid is C6H10O6.
What is the molecular weight of 4-Ethoxy-2,3-dihydroxy-4-oxobutanoic acid?
The molecular weight of 4-Ethoxy-2,3-dihydroxy-4-oxobutanoic acid is 178.05 g/mol.
Where can I buy 4-Ethoxy-2,3-dihydroxy-4-oxobutanoic acid?
You can request a quote for 4-Ethoxy-2,3-dihydroxy-4-oxobutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Ethoxy-2,3-dihydroxy-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Ethoxy-2,3-dihydroxy-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.