Bis(2-phenylethyl)malonic acid
TL;DR: Bis(2-phenylethyl)malonic acid (CAS 86310-45-4) is a chemical compound with molecular formula C19H20O4 and molecular weight 312.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-bis(2-phenylethyl)propanedioic acid
Also Known As: diphenethyl-malonic acid, 2,2-bis(2-phenylethyl)propanedioic acid, bis(2-phenylethyl)malonic acid, 2,2-Diphenethylmalonic acid, 2,2-diphenethylpropanedioic acid
| Molecular Formula | C19H20O4 |
|---|---|
| Molecular Weight | 312.14 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 312.13617 |
| Heavy Atoms | 23 |
| Complexity | 354.0 |
Chemical Identifiers
| CAS Number | 86310-45-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCC(CCC2=CC=CC=C2)(C(=O)O)C(=O)O |
| InChIKey | LKYFYQXPFFFDCD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bis(2-phenylethyl)malonic acid (CAS 86310-45-4), with molecular formula C19H20O4 and molecular weight 312.14 g/mol. IUPAC: 2,2-bis(2-phenylethyl)propanedioic acid.
Chemical Property Profile of Bis(2-phenylethyl)malonic acid
Property Insights of Bis(2-phenylethyl)malonic acid
The XLogP value of 4.0 indicates that Bis(2-phenylethyl)malonic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Bis(2-phenylethyl)malonic acid. Following Lipinski's Rule of Five, Bis(2-phenylethyl)malonic 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 Bis(2-phenylethyl)malonic acid?
The CAS number of Bis(2-phenylethyl)malonic acid is 86310-45-4.
What is the molecular formula of Bis(2-phenylethyl)malonic acid?
The molecular formula of Bis(2-phenylethyl)malonic acid is C19H20O4.
What is the molecular weight of Bis(2-phenylethyl)malonic acid?
The molecular weight of Bis(2-phenylethyl)malonic acid is 312.14 g/mol.
Where can I buy Bis(2-phenylethyl)malonic acid?
You can request a quote for Bis(2-phenylethyl)malonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(2-phenylethyl)malonic acid?
Yes, KEHONG BIO provides custom synthesis services for Bis(2-phenylethyl)malonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.