4-Hydroxybutyl 2,3,4,5,6-pentafluorobenzoate
TL;DR: 4-Hydroxybutyl 2,3,4,5,6-pentafluorobenzoate (CAS 217969-77-2) is a chemical compound with molecular formula C11H9F5O3 and molecular weight 284.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxybutyl 2,3,4,5,6-pentafluorobenzoate
Also Known As: 4-hydroxybutyl 2,3,4,5,6-pentafluorobenzoate, benzoic acid, 2,3,4,5,6-pentafluoro-, 4-hydroxybutyl ester
| Molecular Formula | C11H9F5O3 |
|---|---|
| Molecular Weight | 284.05 g/mol |
| LogP | 2.3114 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 284.04718 |
| Heavy Atoms | 19 |
| Complexity | 460.70438 |
Chemical Identifiers
| CAS Number | 217969-77-2 |
|---|---|
| SMILES | C(CCOC(=O)C1=C(C(=C(C(=C1F)F)F)F)F)CO |
Product Overview
4-Hydroxybutyl 2,3,4,5,6-pentafluorobenzoate (CAS 217969-77-2), with molecular formula C11H9F5O3 and molecular weight 284.05 g/mol. IUPAC: 4-hydroxybutyl 2,3,4,5,6-pentafluorobenzoate.
Chemical Property Profile of 4-Hydroxybutyl 2,3,4,5,6-pentafluorobenzoate
Property Insights of 4-Hydroxybutyl 2,3,4,5,6-pentafluorobenzoate
The XLogP value of 2.3114 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hydroxybutyl 2,3,4,5,6-pentafluorobenzoate. With a topological polar surface area (TPSA) of 46.53 Ų, 4-Hydroxybutyl 2,3,4,5,6-pentafluorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Hydroxybutyl 2,3,4,5,6-pentafluorobenzoate 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 2,3,4,5,6-pentafluorobenzoate?
The CAS number of 4-Hydroxybutyl 2,3,4,5,6-pentafluorobenzoate is 217969-77-2.
What is the molecular formula of 4-Hydroxybutyl 2,3,4,5,6-pentafluorobenzoate?
The molecular formula of 4-Hydroxybutyl 2,3,4,5,6-pentafluorobenzoate is C11H9F5O3.
What is the molecular weight of 4-Hydroxybutyl 2,3,4,5,6-pentafluorobenzoate?
The molecular weight of 4-Hydroxybutyl 2,3,4,5,6-pentafluorobenzoate is 284.05 g/mol.
Where can I buy 4-Hydroxybutyl 2,3,4,5,6-pentafluorobenzoate?
You can request a quote for 4-Hydroxybutyl 2,3,4,5,6-pentafluorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hydroxybutyl 2,3,4,5,6-pentafluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxybutyl 2,3,4,5,6-pentafluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.