![2-[2-(2-Carboxypropan-2-yl)phenyl]-2-methylpropanoic acid structure](/static/products/5340/53405-01-9.webp)
2-[2-(2-Carboxypropan-2-yl)phenyl]-2-methylpropanoic acid
TL;DR: 2-[2-(2-Carboxypropan-2-yl)phenyl]-2-methylpropanoic acid (CAS 53405-01-9) is a chemical compound with molecular formula C14H18O4 and molecular weight 250.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(2-carboxypropan-2-yl)phenyl]-2-methylpropanoic acid
Also Known As: 2,2'-(1,2-Phenylene)bis(2-methylpropanoic acid), 2-[2-(2-carboxypropan-2-yl)phenyl]-2-methylpropanoic acid, 1,2-BENZENEDIACETICACID, A1,A1,A2,A2-TETRAMETHYL-, 2-[2-(1-hydroxy-2-methyl-1-oxopropan-2-yl)phenyl]-2-methylpropanoic acid
| Molecular Formula | C14H18O4 |
|---|---|
| Molecular Weight | 250.12 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 250.12051 |
| Heavy Atoms | 18 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 53405-01-9 |
|---|---|
| SMILES | CC(C)(C1=CC=CC=C1C(C)(C)C(=O)O)C(=O)O |
| InChIKey | JEERPVXGWQTQNW-UHFFFAOYSA-N |
Product Overview
2-[2-(2-Carboxypropan-2-yl)phenyl]-2-methylpropanoic acid (CAS 53405-01-9), with molecular formula C14H18O4 and molecular weight 250.12 g/mol. IUPAC: 2-[2-(2-carboxypropan-2-yl)phenyl]-2-methylpropanoic acid.
Chemical Property Profile of 2-[2-(2-Carboxypropan-2-yl)phenyl]-2-methylpropanoic acid
Property Insights of 2-[2-(2-Carboxypropan-2-yl)phenyl]-2-methylpropanoic acid
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[2-(2-Carboxypropan-2-yl)phenyl]-2-methylpropanoic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[2-(2-Carboxypropan-2-yl)phenyl]-2-methylpropanoic acid. Following Lipinski's Rule of Five, 2-[2-(2-Carboxypropan-2-yl)phenyl]-2-methylpropanoic 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-[2-(2-Carboxypropan-2-yl)phenyl]-2-methylpropanoic acid?
The CAS number of 2-[2-(2-Carboxypropan-2-yl)phenyl]-2-methylpropanoic acid is 53405-01-9.
What is the molecular formula of 2-[2-(2-Carboxypropan-2-yl)phenyl]-2-methylpropanoic acid?
The molecular formula of 2-[2-(2-Carboxypropan-2-yl)phenyl]-2-methylpropanoic acid is C14H18O4.
What is the molecular weight of 2-[2-(2-Carboxypropan-2-yl)phenyl]-2-methylpropanoic acid?
The molecular weight of 2-[2-(2-Carboxypropan-2-yl)phenyl]-2-methylpropanoic acid is 250.12 g/mol.
Where can I buy 2-[2-(2-Carboxypropan-2-yl)phenyl]-2-methylpropanoic acid?
You can request a quote for 2-[2-(2-Carboxypropan-2-yl)phenyl]-2-methylpropanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[2-(2-Carboxypropan-2-yl)phenyl]-2-methylpropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[2-(2-Carboxypropan-2-yl)phenyl]-2-methylpropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.