3-Tert-butyl-4-hydroxyphenyl 3-fluorobenzoate
TL;DR: 3-Tert-butyl-4-hydroxyphenyl 3-fluorobenzoate (CAS 723261-48-1) is a chemical compound with molecular formula C17H17FO3 and molecular weight 288.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-tert-butyl-4-hydroxyphenyl) 3-fluorobenzoate
Also Known As: 3-tert-butyl-4-hydroxyphenyl 3-fluorobenzoate, (3-tert-butyl-4-hydroxyphenyl) 3-fluorobenzoate, AN-652/42917566
| Molecular Formula | C17H17FO3 |
|---|---|
| Molecular Weight | 288.12 g/mol |
| LogP | 4.048 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 288.11618 |
| Heavy Atoms | 21 |
| Complexity | 671.9757 |
Chemical Identifiers
| CAS Number | 723261-48-1 |
|---|---|
| SMILES | CC(C)(C)C1=C(C=CC(=C1)OC(=O)C2=CC(=CC=C2)F)O |
Product Overview
3-Tert-butyl-4-hydroxyphenyl 3-fluorobenzoate (CAS 723261-48-1), with molecular formula C17H17FO3 and molecular weight 288.12 g/mol. IUPAC: (3-tert-butyl-4-hydroxyphenyl) 3-fluorobenzoate.
Chemical Property Profile of 3-Tert-butyl-4-hydroxyphenyl 3-fluorobenzoate
Property Insights of 3-Tert-butyl-4-hydroxyphenyl 3-fluorobenzoate
The XLogP value of 4.048 indicates that 3-Tert-butyl-4-hydroxyphenyl 3-fluorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.53 Ų, 3-Tert-butyl-4-hydroxyphenyl 3-fluorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Tert-butyl-4-hydroxyphenyl 3-fluorobenzoate 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 3-Tert-butyl-4-hydroxyphenyl 3-fluorobenzoate?
The CAS number of 3-Tert-butyl-4-hydroxyphenyl 3-fluorobenzoate is 723261-48-1.
What is the molecular formula of 3-Tert-butyl-4-hydroxyphenyl 3-fluorobenzoate?
The molecular formula of 3-Tert-butyl-4-hydroxyphenyl 3-fluorobenzoate is C17H17FO3.
What is the molecular weight of 3-Tert-butyl-4-hydroxyphenyl 3-fluorobenzoate?
The molecular weight of 3-Tert-butyl-4-hydroxyphenyl 3-fluorobenzoate is 288.12 g/mol.
Where can I buy 3-Tert-butyl-4-hydroxyphenyl 3-fluorobenzoate?
You can request a quote for 3-Tert-butyl-4-hydroxyphenyl 3-fluorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Tert-butyl-4-hydroxyphenyl 3-fluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-Tert-butyl-4-hydroxyphenyl 3-fluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.