3,4-Dihydroxy-4-oxobutanoate
TL;DR: 3,4-Dihydroxy-4-oxobutanoate (CAS 50854-93-8) is a chemical compound with molecular formula C4H5O5- and molecular weight 133.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dihydroxy-4-oxobutanoate
Also Known As: 2,4-Dihydroxy-4-oxobutyrate, 3,4-dihydroxy-4-oxobutanoate, 3,4-dihydroxy-4-oxo-butanoate, 2-Hydroxy-3-carboxylatopropionic acid
| Molecular Formula | C4H5O5- |
|---|---|
| Molecular Weight | 133.01 g/mol |
| LogP | -2.4281 |
| Topological Polar Surface Area | 97.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 133.0137 |
| Heavy Atoms | 9 |
| Complexity | 128.91968 |
Chemical Identifiers
| CAS Number | 50854-93-8 |
|---|---|
| SMILES | C(C(C(=O)O)O)C(=O)[O-] |
Product Overview
3,4-Dihydroxy-4-oxobutanoate (CAS 50854-93-8), with molecular formula C4H5O5- and molecular weight 133.01 g/mol. IUPAC: 3,4-dihydroxy-4-oxobutanoate.
Chemical Property Profile of 3,4-Dihydroxy-4-oxobutanoate
Property Insights of 3,4-Dihydroxy-4-oxobutanoate
The XLogP value of -2.4281 indicates that 3,4-Dihydroxy-4-oxobutanoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 97.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-Dihydroxy-4-oxobutanoate. Following Lipinski's Rule of Five, 3,4-Dihydroxy-4-oxobutanoate has 2 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 3,4-Dihydroxy-4-oxobutanoate?
The CAS number of 3,4-Dihydroxy-4-oxobutanoate is 50854-93-8.
What is the molecular formula of 3,4-Dihydroxy-4-oxobutanoate?
The molecular formula of 3,4-Dihydroxy-4-oxobutanoate is C4H5O5-.
What is the molecular weight of 3,4-Dihydroxy-4-oxobutanoate?
The molecular weight of 3,4-Dihydroxy-4-oxobutanoate is 133.01 g/mol.
Where can I buy 3,4-Dihydroxy-4-oxobutanoate?
You can request a quote for 3,4-Dihydroxy-4-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dihydroxy-4-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dihydroxy-4-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.