2-Ethyl-2-(3-phenylprop-2-enyl)propanedioic acid
TL;DR: 2-Ethyl-2-(3-phenylprop-2-enyl)propanedioic acid (CAS 4472-91-7) is a chemical compound with molecular formula C14H16O4 and molecular weight 248.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethyl-2-(3-phenylprop-2-enyl)propanedioic acid
Also Known As: 2-ethyl-2-(3-phenylprop-2-enyl)propanedioic acid, 5-Hexene-3,3-dicarboxylic acid,6-phenyl, Ethyl(3-phenylprop-2-en-1-yl)propanedioic acid, 2-ethyl-2-[(E)-3-phenylprop-2-enyl]propanedioic acid, Propanedioic acid,2-ethyl-2-(3-phenyl-2-propen-1-yl)-
| Molecular Formula | C14H16O4 |
|---|---|
| Molecular Weight | 248.10 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 248.10486 |
| Heavy Atoms | 18 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 4472-91-7 |
|---|---|
| SMILES | CCC(CC=CC1=CC=CC=C1)(C(=O)O)C(=O)O |
| InChIKey | HEYXYLGBRHTQRD-UHFFFAOYSA-N |
Product Overview
2-Ethyl-2-(3-phenylprop-2-enyl)propanedioic acid (CAS 4472-91-7), with molecular formula C14H16O4 and molecular weight 248.10 g/mol. IUPAC: 2-ethyl-2-(3-phenylprop-2-enyl)propanedioic acid.
Chemical Property Profile of 2-Ethyl-2-(3-phenylprop-2-enyl)propanedioic acid
Property Insights of 2-Ethyl-2-(3-phenylprop-2-enyl)propanedioic acid
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethyl-2-(3-phenylprop-2-enyl)propanedioic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Ethyl-2-(3-phenylprop-2-enyl)propanedioic acid. Following Lipinski's Rule of Five, 2-Ethyl-2-(3-phenylprop-2-enyl)propanedioic 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 2-Ethyl-2-(3-phenylprop-2-enyl)propanedioic acid?
The CAS number of 2-Ethyl-2-(3-phenylprop-2-enyl)propanedioic acid is 4472-91-7.
What is the molecular formula of 2-Ethyl-2-(3-phenylprop-2-enyl)propanedioic acid?
The molecular formula of 2-Ethyl-2-(3-phenylprop-2-enyl)propanedioic acid is C14H16O4.
What is the molecular weight of 2-Ethyl-2-(3-phenylprop-2-enyl)propanedioic acid?
The molecular weight of 2-Ethyl-2-(3-phenylprop-2-enyl)propanedioic acid is 248.10 g/mol.
Where can I buy 2-Ethyl-2-(3-phenylprop-2-enyl)propanedioic acid?
You can request a quote for 2-Ethyl-2-(3-phenylprop-2-enyl)propanedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethyl-2-(3-phenylprop-2-enyl)propanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethyl-2-(3-phenylprop-2-enyl)propanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.