3-Hydroxy-4-(2-hydroxypropoxy)-4-oxobutanoic acid
TL;DR: 3-Hydroxy-4-(2-hydroxypropoxy)-4-oxobutanoic acid (CAS 23271-86-5) is a chemical compound with molecular formula C7H12O6 and molecular weight 192.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-4-(2-hydroxypropoxy)-4-oxobutanoic acid
Also Known As: PROPANEDIOL MALATE, 3-hydroxy-4-(2-hydroxypropoxy)-4-oxobutanoic acid, Butanedioic acid, hydroxy-, 1-(2-hydroxypropyl) ester
| Molecular Formula | C7H12O6 |
|---|---|
| Molecular Weight | 192.06 g/mol |
| LogP | -1.3 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 192.06339 |
| Heavy Atoms | 13 |
| Complexity | 189.0 |
Chemical Identifiers
| CAS Number | 23271-86-5 |
|---|---|
| SMILES | CC(COC(=O)C(CC(=O)O)O)O |
| InChIKey | QNZQFOOFJVIUHB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Hydroxy-4-(2-hydroxypropoxy)-4-oxobutanoic acid (CAS 23271-86-5), with molecular formula C7H12O6 and molecular weight 192.06 g/mol. IUPAC: 3-hydroxy-4-(2-hydroxypropoxy)-4-oxobutanoic acid.
Chemical Property Profile of 3-Hydroxy-4-(2-hydroxypropoxy)-4-oxobutanoic acid
Property Insights of 3-Hydroxy-4-(2-hydroxypropoxy)-4-oxobutanoic acid
The XLogP value of -1.3 indicates that 3-Hydroxy-4-(2-hydroxypropoxy)-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 3-Hydroxy-4-(2-hydroxypropoxy)-4-oxobutanoic acid. Following Lipinski's Rule of Five, 3-Hydroxy-4-(2-hydroxypropoxy)-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 3-Hydroxy-4-(2-hydroxypropoxy)-4-oxobutanoic acid?
The CAS number of 3-Hydroxy-4-(2-hydroxypropoxy)-4-oxobutanoic acid is 23271-86-5.
What is the molecular formula of 3-Hydroxy-4-(2-hydroxypropoxy)-4-oxobutanoic acid?
The molecular formula of 3-Hydroxy-4-(2-hydroxypropoxy)-4-oxobutanoic acid is C7H12O6.
What is the molecular weight of 3-Hydroxy-4-(2-hydroxypropoxy)-4-oxobutanoic acid?
The molecular weight of 3-Hydroxy-4-(2-hydroxypropoxy)-4-oxobutanoic acid is 192.06 g/mol.
Where can I buy 3-Hydroxy-4-(2-hydroxypropoxy)-4-oxobutanoic acid?
You can request a quote for 3-Hydroxy-4-(2-hydroxypropoxy)-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 3-Hydroxy-4-(2-hydroxypropoxy)-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxy-4-(2-hydroxypropoxy)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.