p-Cymene-2-carboxylic acid
TL;DR: p-Cymene-2-carboxylic acid (CAS 3754-72-1) is a chemical compound with molecular formula C11H14O2 and molecular weight 178.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-5-propan-2-ylbenzoic acid
Also Known As: p-CYMENE-2-CARBOXYLIC ACID, 5-isopropyl-2-methylbenzoic acid, 5-Isopropyl-o-toluic acid, 2-methyl-5-(propan-2-yl)benzoic acid, 2-methyl-5-propan-2-ylbenzoic acid
| Molecular Formula | C11H14O2 |
|---|---|
| Molecular Weight | 178.10 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 178.09938 |
| Heavy Atoms | 13 |
| Complexity | 187.0 |
Chemical Identifiers
| CAS Number | 3754-72-1 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(C)C)C(=O)O |
| InChIKey | QCTZFEMYDOAQLE-UHFFFAOYSA-N |
Product Overview
p-Cymene-2-carboxylic acid (CAS 3754-72-1), with molecular formula C11H14O2 and molecular weight 178.10 g/mol. IUPAC: 2-methyl-5-propan-2-ylbenzoic acid.
Chemical Property Profile of p-Cymene-2-carboxylic acid
Property Insights of p-Cymene-2-carboxylic acid
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for p-Cymene-2-carboxylic acid. With a topological polar surface area (TPSA) of 37.3 Ų, p-Cymene-2-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-Cymene-2-carboxylic 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 p-Cymene-2-carboxylic acid?
The CAS number of p-Cymene-2-carboxylic acid is 3754-72-1.
What is the molecular formula of p-Cymene-2-carboxylic acid?
The molecular formula of p-Cymene-2-carboxylic acid is C11H14O2.
What is the molecular weight of p-Cymene-2-carboxylic acid?
The molecular weight of p-Cymene-2-carboxylic acid is 178.10 g/mol.
Where can I buy p-Cymene-2-carboxylic acid?
You can request a quote for p-Cymene-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Cymene-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for p-Cymene-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.