3-(4-Isobutylphenyl)propanoic acid
TL;DR: 3-(4-Isobutylphenyl)propanoic acid (CAS 65322-85-2) 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.
3-[4-(2-methylpropyl)phenyl]propanoic acid
Also Known As: 3-(4-ISOBUTYLPHENYL)PROPANOIC ACID, Ibuprofen Impurity F, Luteone, Ibuprofen EP Impurity F, 3-[4-(2-methylpropyl)phenyl]propanoic Acid
| Molecular Formula | C13H18O2 |
|---|---|
| Molecular Weight | 206.13 g/mol |
| LogP | 2.9023 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 206.13068 |
| Heavy Atoms | 15 |
| Complexity | 311.81277 |
Chemical Identifiers
| CAS Number | 65322-85-2 |
|---|---|
| SMILES | CC(C)CC1=CC=C(C=C1)CCC(=O)O |
Product Overview
3-(4-Isobutylphenyl)propanoic acid (CAS 65322-85-2), with molecular formula C13H18O2 and molecular weight 206.13 g/mol. IUPAC: 3-[4-(2-methylpropyl)phenyl]propanoic acid.
Chemical Property Profile of 3-(4-Isobutylphenyl)propanoic acid
Property Insights of 3-(4-Isobutylphenyl)propanoic acid
The XLogP value of 2.9023 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Isobutylphenyl)propanoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 3-(4-Isobutylphenyl)propanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Isobutylphenyl)propanoic acid has 1 hydrogen bond donor(s) and 1 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-(4-Isobutylphenyl)propanoic acid?
The CAS number of 3-(4-Isobutylphenyl)propanoic acid is 65322-85-2.
What is the molecular formula of 3-(4-Isobutylphenyl)propanoic acid?
The molecular formula of 3-(4-Isobutylphenyl)propanoic acid is C13H18O2.
What is the molecular weight of 3-(4-Isobutylphenyl)propanoic acid?
The molecular weight of 3-(4-Isobutylphenyl)propanoic acid is 206.13 g/mol.
Where can I buy 3-(4-Isobutylphenyl)propanoic acid?
You can request a quote for 3-(4-Isobutylphenyl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Isobutylphenyl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Isobutylphenyl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.