3-Hydroxy-2-(4-(2-methylpropyl)phenyl)propanoic acid
TL;DR: 3-Hydroxy-2-(4-(2-methylpropyl)phenyl)propanoic acid (CAS 64730-72-9) is a chemical compound with molecular formula C13H18O3 and molecular weight 222.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-2-[4-(2-methylpropyl)phenyl]propanoic acid
Also Known As: 3-hydroxy-ibuprofen, 3-hydroxy-2-[4-(2-methylpropyl)phenyl]propanoic Acid, p-isobutyl-2-phenyl-3-hydroxypropane acid, 3-Hydroxy-2-(4-(2-methylpropyl)phenyl)propanoic acid, Benzeneacetic acid, -alpha--(hydroxymethyl)-4-(2-methylpropyl)- (9CI)
| Molecular Formula | C13H18O3 |
|---|---|
| Molecular Weight | 222.13 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 222.1256 |
| Heavy Atoms | 16 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 64730-72-9 |
|---|---|
| SMILES | CC(C)CC1=CC=C(C=C1)C(CO)C(=O)O |
| InChIKey | GSVPDLNMVPXACN-UHFFFAOYSA-N |
Product Overview
3-Hydroxy-2-(4-(2-methylpropyl)phenyl)propanoic acid (CAS 64730-72-9), with molecular formula C13H18O3 and molecular weight 222.13 g/mol. IUPAC: 3-hydroxy-2-[4-(2-methylpropyl)phenyl]propanoic acid.
Chemical Property Profile of 3-Hydroxy-2-(4-(2-methylpropyl)phenyl)propanoic acid
Property Insights of 3-Hydroxy-2-(4-(2-methylpropyl)phenyl)propanoic acid
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hydroxy-2-(4-(2-methylpropyl)phenyl)propanoic acid. With a topological polar surface area (TPSA) of 57.5 Ų, 3-Hydroxy-2-(4-(2-methylpropyl)phenyl)propanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hydroxy-2-(4-(2-methylpropyl)phenyl)propanoic acid has 2 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 3-Hydroxy-2-(4-(2-methylpropyl)phenyl)propanoic acid?
The CAS number of 3-Hydroxy-2-(4-(2-methylpropyl)phenyl)propanoic acid is 64730-72-9.
What is the molecular formula of 3-Hydroxy-2-(4-(2-methylpropyl)phenyl)propanoic acid?
The molecular formula of 3-Hydroxy-2-(4-(2-methylpropyl)phenyl)propanoic acid is C13H18O3.
What is the molecular weight of 3-Hydroxy-2-(4-(2-methylpropyl)phenyl)propanoic acid?
The molecular weight of 3-Hydroxy-2-(4-(2-methylpropyl)phenyl)propanoic acid is 222.13 g/mol.
Where can I buy 3-Hydroxy-2-(4-(2-methylpropyl)phenyl)propanoic acid?
You can request a quote for 3-Hydroxy-2-(4-(2-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 3-Hydroxy-2-(4-(2-methylpropyl)phenyl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxy-2-(4-(2-methylpropyl)phenyl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.