3-Ethyl-3-methylglutaric acid
TL;DR: 3-Ethyl-3-methylglutaric acid (CAS 5345-01-7) is a chemical compound with molecular formula C8H14O4 and molecular weight 174.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-3-methylpentanedioic acid
Also Known As: 3-Ethyl-3-methylglutaric acid, 3-Ethyl-3-methylpentanedioic acid, Ethylmethylglutaricacid, Bemegride Impurity 2, P-CHLOROACETANILIDE
| Molecular Formula | C8H14O4 |
|---|---|
| Molecular Weight | 174.09 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 174.0892 |
| Heavy Atoms | 12 |
| Complexity | 169.0 |
Chemical Identifiers
| CAS Number | 5345-01-7 |
|---|---|
| SMILES | CCC(C)(CC(=O)O)CC(=O)O |
| InChIKey | XAWFHZMTJUGGEE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Ethyl-3-methylglutaric acid (CAS 5345-01-7), with molecular formula C8H14O4 and molecular weight 174.09 g/mol. IUPAC: 3-ethyl-3-methylpentanedioic acid.
Chemical Property Profile of 3-Ethyl-3-methylglutaric acid
Property Insights of 3-Ethyl-3-methylglutaric acid
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Ethyl-3-methylglutaric acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Ethyl-3-methylglutaric acid. Following Lipinski's Rule of Five, 3-Ethyl-3-methylglutaric acid 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-Ethyl-3-methylglutaric acid?
The CAS number of 3-Ethyl-3-methylglutaric acid is 5345-01-7.
What is the molecular formula of 3-Ethyl-3-methylglutaric acid?
The molecular formula of 3-Ethyl-3-methylglutaric acid is C8H14O4.
What is the molecular weight of 3-Ethyl-3-methylglutaric acid?
The molecular weight of 3-Ethyl-3-methylglutaric acid is 174.09 g/mol.
Where can I buy 3-Ethyl-3-methylglutaric acid?
You can request a quote for 3-Ethyl-3-methylglutaric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ethyl-3-methylglutaric acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethyl-3-methylglutaric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.