2-(4-(1-Methylpropyl)phenyl)propanoic acid
TL;DR: 2-(4-(1-Methylpropyl)phenyl)propanoic acid (CAS 64451-76-9) is a chemical compound with molecular formula C13H18O2 and molecular weight 206.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-butan-2-ylphenyl)propanoic acid
Also Known As: Ibuprofen EP Impurity O, 2-(p-sec-Butylphenyl)propionic Acid, Ibuprofen Impurity O, 2-(4-(1-Methylpropyl)phenyl)propanoic acid, Ibuprofen BP Impurity O
| Molecular Formula | C13H18O2 |
|---|---|
| Molecular Weight | 206.13 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 206.13068 |
| Heavy Atoms | 15 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 64451-76-9 |
|---|---|
| SMILES | CCC(C)C1=CC=C(C=C1)C(C)C(=O)O |
| InChIKey | OWMZINYEXURWLF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(4-(1-Methylpropyl)phenyl)propanoic acid (CAS 64451-76-9), with molecular formula C13H18O2 and molecular weight 206.13 g/mol. IUPAC: 2-(4-butan-2-ylphenyl)propanoic acid.
Chemical Property Profile of 2-(4-(1-Methylpropyl)phenyl)propanoic acid
Property Insights of 2-(4-(1-Methylpropyl)phenyl)propanoic acid
The XLogP value of 3.6 indicates that 2-(4-(1-Methylpropyl)phenyl)propanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 2-(4-(1-Methylpropyl)phenyl)propanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-(1-Methylpropyl)phenyl)propanoic acid has 1 hydrogen bond donor(s) and 2 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-(4-(1-Methylpropyl)phenyl)propanoic acid?
The CAS number of 2-(4-(1-Methylpropyl)phenyl)propanoic acid is 64451-76-9.
What is the molecular formula of 2-(4-(1-Methylpropyl)phenyl)propanoic acid?
The molecular formula of 2-(4-(1-Methylpropyl)phenyl)propanoic acid is C13H18O2.
What is the molecular weight of 2-(4-(1-Methylpropyl)phenyl)propanoic acid?
The molecular weight of 2-(4-(1-Methylpropyl)phenyl)propanoic acid is 206.13 g/mol.
Where can I buy 2-(4-(1-Methylpropyl)phenyl)propanoic acid?
You can request a quote for 2-(4-(1-Methylpropyl)phenyl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-(1-Methylpropyl)phenyl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-(1-Methylpropyl)phenyl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.