Tert-butyl 4-fluorobenzoate
TL;DR: Tert-butyl 4-fluorobenzoate (CAS 7116-38-3) is a chemical compound with molecular formula C11H13FO2 and molecular weight 196.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 4-fluorobenzoate
Also Known As: tert-butyl 4-fluorobenzoate, t-Butyl 4-fluorobenzoate, t-butyl-4-fluorobenzoate, tert-Butyl4-Fluorobenzoate, tert-Butyl p-fluorobenzoate
| Molecular Formula | C11H13FO2 |
|---|---|
| Molecular Weight | 196.09 g/mol |
| LogP | 2.781 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 196.08995 |
| Heavy Atoms | 14 |
| Complexity | 322.13593 |
Chemical Identifiers
| CAS Number | 7116-38-3 |
|---|---|
| SMILES | CC(C)(C)OC(=O)C1=CC=C(C=C1)F |
Product Overview
Tert-butyl 4-fluorobenzoate (CAS 7116-38-3), with molecular formula C11H13FO2 and molecular weight 196.09 g/mol. IUPAC: tert-butyl 4-fluorobenzoate.
Chemical Property Profile of Tert-butyl 4-fluorobenzoate
Property Insights of Tert-butyl 4-fluorobenzoate
The XLogP value of 2.781 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tert-butyl 4-fluorobenzoate. With a topological polar surface area (TPSA) of 26.3 Ų, Tert-butyl 4-fluorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tert-butyl 4-fluorobenzoate has 0 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 Tert-butyl 4-fluorobenzoate?
The CAS number of Tert-butyl 4-fluorobenzoate is 7116-38-3.
What is the molecular formula of Tert-butyl 4-fluorobenzoate?
The molecular formula of Tert-butyl 4-fluorobenzoate is C11H13FO2.
What is the molecular weight of Tert-butyl 4-fluorobenzoate?
The molecular weight of Tert-butyl 4-fluorobenzoate is 196.09 g/mol.
Where can I buy Tert-butyl 4-fluorobenzoate?
You can request a quote for Tert-butyl 4-fluorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tert-butyl 4-fluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl 4-fluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.