3-Hydroxy-3-ethylglutaric acid
TL;DR: 3-Hydroxy-3-ethylglutaric acid (CAS 570-63-8) is a chemical compound with molecular formula C7H12O5 and molecular weight 176.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-3-hydroxypentanedioic acid
Also Known As: 3-Hydroxy-3-ethylglutaric acid, 3-ethyl-3-hydroxypentanedioic acid, 3-hydroxy-3-ethylglutaricacid, Pentanedioic acid, 3-ethyl-3-hydroxy-, Pentanedioic acid,3-ethyl-3-hydroxy-
| Molecular Formula | C7H12O5 |
|---|---|
| Molecular Weight | 176.07 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 94.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 176.06847 |
| Heavy Atoms | 12 |
| Complexity | 170.0 |
Chemical Identifiers
| CAS Number | 570-63-8 |
|---|---|
| SMILES | CCC(CC(=O)O)(CC(=O)O)O |
| InChIKey | AOKDDUPYCZEHIM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Hydroxy-3-ethylglutaric acid (CAS 570-63-8), with molecular formula C7H12O5 and molecular weight 176.07 g/mol. IUPAC: 3-ethyl-3-hydroxypentanedioic acid.
Chemical Property Profile of 3-Hydroxy-3-ethylglutaric acid
Property Insights of 3-Hydroxy-3-ethylglutaric acid
The XLogP value of -0.7 indicates that 3-Hydroxy-3-ethylglutaric acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 94.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Hydroxy-3-ethylglutaric acid. Following Lipinski's Rule of Five, 3-Hydroxy-3-ethylglutaric acid has 3 hydrogen bond donor(s) and 5 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-3-ethylglutaric acid?
The CAS number of 3-Hydroxy-3-ethylglutaric acid is 570-63-8.
What is the molecular formula of 3-Hydroxy-3-ethylglutaric acid?
The molecular formula of 3-Hydroxy-3-ethylglutaric acid is C7H12O5.
What is the molecular weight of 3-Hydroxy-3-ethylglutaric acid?
The molecular weight of 3-Hydroxy-3-ethylglutaric acid is 176.07 g/mol.
Where can I buy 3-Hydroxy-3-ethylglutaric acid?
You can request a quote for 3-Hydroxy-3-ethylglutaric 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-3-ethylglutaric acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxy-3-ethylglutaric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.