4-Butoxy-3-fluorobenzoic acid
TL;DR: 4-Butoxy-3-fluorobenzoic acid (CAS 326-76-1) is a chemical compound with molecular formula C11H13FO3 and molecular weight 212.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-butoxy-3-fluorobenzoic acid
Also Known As: 4-butoxy-3-fluorobenzoic acid, 4-n-Butoxy-3-fluorobenzoic acid, 4-butoxy-3-fluoro-benzoic acid, 4-butoxy-3-fluorobenzoicacid, 2-Chlor-5-trifluoracetylthiophen
| Molecular Formula | C11H13FO3 |
|---|---|
| Molecular Weight | 212.08 g/mol |
| LogP | 2.7028 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 212.08487 |
| Heavy Atoms | 15 |
| Complexity | 349.6863 |
Chemical Identifiers
| CAS Number | 326-76-1 |
|---|---|
| SMILES | CCCCOC1=C(C=C(C=C1)C(=O)O)F |
Product Overview
4-Butoxy-3-fluorobenzoic acid (CAS 326-76-1), with molecular formula C11H13FO3 and molecular weight 212.08 g/mol. IUPAC: 4-butoxy-3-fluorobenzoic acid.
Chemical Property Profile of 4-Butoxy-3-fluorobenzoic acid
Property Insights of 4-Butoxy-3-fluorobenzoic acid
The XLogP value of 2.7028 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Butoxy-3-fluorobenzoic acid. With a topological polar surface area (TPSA) of 46.53 Ų, 4-Butoxy-3-fluorobenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Butoxy-3-fluorobenzoic 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-Butoxy-3-fluorobenzoic acid?
The CAS number of 4-Butoxy-3-fluorobenzoic acid is 326-76-1.
What is the molecular formula of 4-Butoxy-3-fluorobenzoic acid?
The molecular formula of 4-Butoxy-3-fluorobenzoic acid is C11H13FO3.
What is the molecular weight of 4-Butoxy-3-fluorobenzoic acid?
The molecular weight of 4-Butoxy-3-fluorobenzoic acid is 212.08 g/mol.
Where can I buy 4-Butoxy-3-fluorobenzoic acid?
You can request a quote for 4-Butoxy-3-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-Butoxy-3-fluorobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Butoxy-3-fluorobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.