p-Octylbenzoic acid
TL;DR: p-Octylbenzoic acid (CAS 3575-31-3) is a chemical compound with molecular formula C15H22O2 and molecular weight 234.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-octylbenzoic acid
Also Known As: 4-Octylbenzoic acid, 4-n-Octylbenzoic acid, p-Octylbenzoic acid, Benzoic acid, 4-octyl-, Para-octylbenzoic acid
| Molecular Formula | C15H22O2 |
|---|---|
| Molecular Weight | 234.16 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 234.16199 |
| Heavy Atoms | 17 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 3575-31-3 |
|---|---|
| SMILES | CCCCCCCCC1=CC=C(C=C1)C(=O)O |
| InChIKey | ZQLDNJKHLQOJGE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
p-Octylbenzoic acid (CAS 3575-31-3), with molecular formula C15H22O2 and molecular weight 234.16 g/mol. IUPAC: 4-octylbenzoic acid.
Chemical Property Profile of p-Octylbenzoic acid
Property Insights of p-Octylbenzoic acid
The XLogP value of 6.1 indicates that p-Octylbenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, p-Octylbenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-Octylbenzoic acid has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of p-Octylbenzoic acid?
The CAS number of p-Octylbenzoic acid is 3575-31-3.
What is the molecular formula of p-Octylbenzoic acid?
The molecular formula of p-Octylbenzoic acid is C15H22O2.
What is the molecular weight of p-Octylbenzoic acid?
The molecular weight of p-Octylbenzoic acid is 234.16 g/mol.
Where can I buy p-Octylbenzoic acid?
You can request a quote for p-Octylbenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Octylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for p-Octylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.