3-Phenyl-3-propylglutaric acid
TL;DR: 3-Phenyl-3-propylglutaric acid (CAS 4160-94-5) is a chemical compound with molecular formula C14H18O4 and molecular weight 250.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenyl-3-propylpentanedioic acid
Also Known As: 3-Phenyl-3-propylglutaric acid, 3-phenyl-3-propylpentanedioic acid, 3-phenyl-3-propylglutaricacid, 3-Propyl-3-phenyl-glutarsaeure, pentanedioic acid, 3-phenyl-3-propyl-
| Molecular Formula | C14H18O4 |
|---|---|
| Molecular Weight | 250.12 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 250.12051 |
| Heavy Atoms | 18 |
| Complexity | 276.0 |
Chemical Identifiers
| CAS Number | 4160-94-5 |
|---|---|
| SMILES | CCCC(CC(=O)O)(CC(=O)O)C1=CC=CC=C1 |
| InChIKey | VVYCAUXALDXXBS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Phenyl-3-propylglutaric acid (CAS 4160-94-5), with molecular formula C14H18O4 and molecular weight 250.12 g/mol. IUPAC: 3-phenyl-3-propylpentanedioic acid.
Chemical Property Profile of 3-Phenyl-3-propylglutaric acid
Property Insights of 3-Phenyl-3-propylglutaric acid
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Phenyl-3-propylglutaric acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Phenyl-3-propylglutaric acid. Following Lipinski's Rule of Five, 3-Phenyl-3-propylglutaric 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-Phenyl-3-propylglutaric acid?
The CAS number of 3-Phenyl-3-propylglutaric acid is 4160-94-5.
What is the molecular formula of 3-Phenyl-3-propylglutaric acid?
The molecular formula of 3-Phenyl-3-propylglutaric acid is C14H18O4.
What is the molecular weight of 3-Phenyl-3-propylglutaric acid?
The molecular weight of 3-Phenyl-3-propylglutaric acid is 250.12 g/mol.
Where can I buy 3-Phenyl-3-propylglutaric acid?
You can request a quote for 3-Phenyl-3-propylglutaric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Phenyl-3-propylglutaric acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenyl-3-propylglutaric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.