4-Hydroxybutyl 2,4,5-trifluorobenzoate
TL;DR: 4-Hydroxybutyl 2,4,5-trifluorobenzoate (CAS 521294-12-2) is a chemical compound with molecular formula C11H11F3O3 and molecular weight 248.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxybutyl 2,4,5-trifluorobenzoate
Also Known As: 4-hydroxybutyl 2,4,5-trifluorobenzoate
| Molecular Formula | C11H11F3O3 |
|---|---|
| Molecular Weight | 248.07 g/mol |
| LogP | 2.0332 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 248.06602 |
| Heavy Atoms | 17 |
| Complexity | 407.1933 |
Chemical Identifiers
| CAS Number | 521294-12-2 |
|---|---|
| SMILES | C1=C(C(=CC(=C1F)F)F)C(=O)OCCCCO |
Product Overview
4-Hydroxybutyl 2,4,5-trifluorobenzoate (CAS 521294-12-2), with molecular formula C11H11F3O3 and molecular weight 248.07 g/mol. IUPAC: 4-hydroxybutyl 2,4,5-trifluorobenzoate.
Chemical Property Profile of 4-Hydroxybutyl 2,4,5-trifluorobenzoate
Property Insights of 4-Hydroxybutyl 2,4,5-trifluorobenzoate
The XLogP value of 2.0332 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hydroxybutyl 2,4,5-trifluorobenzoate. With a topological polar surface area (TPSA) of 46.53 Ų, 4-Hydroxybutyl 2,4,5-trifluorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Hydroxybutyl 2,4,5-trifluorobenzoate has 1 hydrogen bond donor(s) and 3 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-Hydroxybutyl 2,4,5-trifluorobenzoate?
The CAS number of 4-Hydroxybutyl 2,4,5-trifluorobenzoate is 521294-12-2.
What is the molecular formula of 4-Hydroxybutyl 2,4,5-trifluorobenzoate?
The molecular formula of 4-Hydroxybutyl 2,4,5-trifluorobenzoate is C11H11F3O3.
What is the molecular weight of 4-Hydroxybutyl 2,4,5-trifluorobenzoate?
The molecular weight of 4-Hydroxybutyl 2,4,5-trifluorobenzoate is 248.07 g/mol.
Where can I buy 4-Hydroxybutyl 2,4,5-trifluorobenzoate?
You can request a quote for 4-Hydroxybutyl 2,4,5-trifluorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hydroxybutyl 2,4,5-trifluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxybutyl 2,4,5-trifluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.