4-己基苯甲酸
TL;DR: 4-己基苯甲酸 (CAS 21643-38-9) is a chemical compound with molecular formula C13H18O2 and molecular weight 206.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-己基苯甲酸
4-hexylbenzoic acid
Also Known As: 4-Hexylbenzoic acid, Benzoic acid, 4-hexyl-, 4-n-Hexylbenzoic acid, p-Hexylbenzoic acid, p-n-Hexylbenzoic acid
| Molecular Formula | C13H18O2 |
|---|---|
| Molecular Weight | 206.13 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 206.13068 |
| Heavy Atoms | 15 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 21643-38-9 |
|---|---|
| SMILES | CCCCCCC1=CC=C(C=C1)C(=O)O |
| InChIKey | CPEPWESLFZVUEP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-己基苯甲酸 (CAS 21643-38-9), with molecular formula C13H18O2 and molecular weight 206.13 g/mol. IUPAC: 4-hexylbenzoic acid.
Chemical Property Profile of 4-己基苯甲酸
Property Insights of 4-己基苯甲酸
The XLogP value of 5.1 indicates that 4-己基苯甲酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 4-己基苯甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-己基苯甲酸 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 4-己基苯甲酸?
The CAS number of 4-己基苯甲酸 is 21643-38-9.
What is the molecular formula of 4-己基苯甲酸?
The molecular formula of 4-己基苯甲酸 is C13H18O2.
What is the molecular weight of 4-己基苯甲酸?
The molecular weight of 4-己基苯甲酸 is 206.13 g/mol.
Where can I buy 4-己基苯甲酸?
You can request a quote for 4-己基苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-己基苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 4-己基苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.