beta-(p-Cumoyl)propionic acid
TL;DR: beta-(p-Cumoyl)propionic acid (CAS 6947-81-5) is a chemical compound with molecular formula C13H16O3 and molecular weight 220.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxo-4-(4-propan-2-ylphenyl)butanoic acid
Also Known As: 4-(4-isopropylphenyl)-4-oxobutanoic acid, Benzenebutanoic acid, 4-(1-methylethyl)-gamma-oxo-, beta-(p-Cumoyl)propionic acid, CB 830, 4-oxo-4-(4-propan-2-ylphenyl)butanoic acid
| Molecular Formula | C13H16O3 |
|---|---|
| Molecular Weight | 220.11 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 220.10994 |
| Heavy Atoms | 16 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 6947-81-5 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)C(=O)CCC(=O)O |
| InChIKey | CRTBQADLERFRSD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
beta-(p-Cumoyl)propionic acid (CAS 6947-81-5), with molecular formula C13H16O3 and molecular weight 220.11 g/mol. IUPAC: 4-oxo-4-(4-propan-2-ylphenyl)butanoic acid.
Chemical Property Profile of beta-(p-Cumoyl)propionic acid
Property Insights of beta-(p-Cumoyl)propionic acid
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for beta-(p-Cumoyl)propionic acid. With a topological polar surface area (TPSA) of 54.4 Ų, beta-(p-Cumoyl)propionic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, beta-(p-Cumoyl)propionic acid has 1 hydrogen bond donor(s) and 3 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 beta-(p-Cumoyl)propionic acid?
The CAS number of beta-(p-Cumoyl)propionic acid is 6947-81-5.
What is the molecular formula of beta-(p-Cumoyl)propionic acid?
The molecular formula of beta-(p-Cumoyl)propionic acid is C13H16O3.
What is the molecular weight of beta-(p-Cumoyl)propionic acid?
The molecular weight of beta-(p-Cumoyl)propionic acid is 220.11 g/mol.
Where can I buy beta-(p-Cumoyl)propionic acid?
You can request a quote for beta-(p-Cumoyl)propionic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-(p-Cumoyl)propionic acid?
Yes, KEHONG BIO provides custom synthesis services for beta-(p-Cumoyl)propionic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.