3-Ethyl-3-phenylglutaric acid
TL;DR: 3-Ethyl-3-phenylglutaric acid (CAS 4160-93-4) is a chemical compound with molecular formula C13H16O4 and molecular weight 236.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-3-phenylpentanedioic acid
Also Known As: 3-Ethyl-3-phenylglutaric acid, 3-ethyl-3-phenylpentanedioic acid, pentanedioic acid, 3-ethyl-3-phenyl-, EINECS 224-000-7
| Molecular Formula | C13H16O4 |
|---|---|
| Molecular Weight | 236.10 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 236.10486 |
| Heavy Atoms | 17 |
| Complexity | 263.0 |
Chemical Identifiers
| CAS Number | 4160-93-4 |
|---|---|
| SMILES | CCC(CC(=O)O)(CC(=O)O)C1=CC=CC=C1 |
| InChIKey | QGUKASLBZHWGCO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Ethyl-3-phenylglutaric acid (CAS 4160-93-4), with molecular formula C13H16O4 and molecular weight 236.10 g/mol. IUPAC: 3-ethyl-3-phenylpentanedioic acid.
Chemical Property Profile of 3-Ethyl-3-phenylglutaric acid
Property Insights of 3-Ethyl-3-phenylglutaric acid
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Ethyl-3-phenylglutaric acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Ethyl-3-phenylglutaric acid. Following Lipinski's Rule of Five, 3-Ethyl-3-phenylglutaric 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-phenylglutaric acid?
The CAS number of 3-Ethyl-3-phenylglutaric acid is 4160-93-4.
What is the molecular formula of 3-Ethyl-3-phenylglutaric acid?
The molecular formula of 3-Ethyl-3-phenylglutaric acid is C13H16O4.
What is the molecular weight of 3-Ethyl-3-phenylglutaric acid?
The molecular weight of 3-Ethyl-3-phenylglutaric acid is 236.10 g/mol.
Where can I buy 3-Ethyl-3-phenylglutaric acid?
You can request a quote for 3-Ethyl-3-phenylglutaric 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-phenylglutaric acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethyl-3-phenylglutaric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.