4-Decyloxy-2-fluorobenzoic acid
TL;DR: 4-Decyloxy-2-fluorobenzoic acid (CAS 106316-02-3) is a chemical compound with molecular formula C17H25FO3 and molecular weight 296.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-decoxy-2-fluorobenzoic acid
Also Known As: 4-(decyloxy)-2-fluorobenzoic acid, 4-N-decyloxy-2-fluorobenzoic acid, 4-decoxy-2-fluorobenzoic acid, 4-decyloxy-2-fluorobenzoic acid, Benzoic acid,4-(decyloxy)-2-fluoro-
| Molecular Formula | C17H25FO3 |
|---|---|
| Molecular Weight | 296.18 g/mol |
| LogP | 5.0434 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 11 |
| Exact Mass | 296.17877 |
| Heavy Atoms | 21 |
| Complexity | 432.04343 |
Chemical Identifiers
| CAS Number | 106316-02-3 |
|---|---|
| SMILES | CCCCCCCCCCOC1=CC(=C(C=C1)C(=O)O)F |
Product Overview
4-Decyloxy-2-fluorobenzoic acid (CAS 106316-02-3), with molecular formula C17H25FO3 and molecular weight 296.18 g/mol. IUPAC: 4-decoxy-2-fluorobenzoic acid.
Chemical Property Profile of 4-Decyloxy-2-fluorobenzoic acid
Property Insights of 4-Decyloxy-2-fluorobenzoic acid
The XLogP value of 5.0434 indicates that 4-Decyloxy-2-fluorobenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.53 Ų, 4-Decyloxy-2-fluorobenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Decyloxy-2-fluorobenzoic 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 4-Decyloxy-2-fluorobenzoic acid?
The CAS number of 4-Decyloxy-2-fluorobenzoic acid is 106316-02-3.
What is the molecular formula of 4-Decyloxy-2-fluorobenzoic acid?
The molecular formula of 4-Decyloxy-2-fluorobenzoic acid is C17H25FO3.
What is the molecular weight of 4-Decyloxy-2-fluorobenzoic acid?
The molecular weight of 4-Decyloxy-2-fluorobenzoic acid is 296.18 g/mol.
Where can I buy 4-Decyloxy-2-fluorobenzoic acid?
You can request a quote for 4-Decyloxy-2-fluorobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Decyloxy-2-fluorobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Decyloxy-2-fluorobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.