4-Ethylbenzoic Acid
TL;DR: 4-Ethylbenzoic Acid (CAS 619-64-7) is a chemical compound with molecular formula C9H10O2 and molecular weight 150.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethylbenzoic acid
Also Known As: 4-ETHYLBENZOIC ACID, p-Ethylbenzoic acid, Benzoic acid, 4-ethyl-, 4-ethylbenzoate, null
| Molecular Formula | C9H10O2 |
|---|---|
| Molecular Weight | 150.07 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 | 150.06808 |
| Heavy Atoms | 11 |
| Complexity | 134.0 |
| Melting Point | 112 - 113 °C |
Chemical Identifiers
| CAS Number | 619-64-7 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)C(=O)O |
| InChIKey | ZQVKTHRQIXSMGY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Ethylbenzoic Acid (CAS 619-64-7), with molecular formula C9H10O2 and molecular weight 150.07 g/mol. IUPAC: 4-ethylbenzoic acid.
Chemical Property Profile of 4-Ethylbenzoic Acid
Property Insights of 4-Ethylbenzoic Acid
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Ethylbenzoic Acid. With a topological polar surface area (TPSA) of 37.3 Ų, 4-Ethylbenzoic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Ethylbenzoic 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 4-Ethylbenzoic Acid?
The CAS number of 4-Ethylbenzoic Acid is 619-64-7.
What is the molecular formula of 4-Ethylbenzoic Acid?
The molecular formula of 4-Ethylbenzoic Acid is C9H10O2.
What is the molecular weight of 4-Ethylbenzoic Acid?
The molecular weight of 4-Ethylbenzoic Acid is 150.07 g/mol.
Where can I buy 4-Ethylbenzoic Acid?
You can request a quote for 4-Ethylbenzoic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Ethylbenzoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Ethylbenzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.