4-Fluorophenyl 4-tert-butylbenzoate
TL;DR: 4-Fluorophenyl 4-tert-butylbenzoate (CAS 331866-01-4) is a chemical compound with molecular formula C17H17FO2 and molecular weight 272.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-fluorophenyl) 4-tert-butylbenzoate
Also Known As: 4-fluorophenyl 4-tert-butylbenzoate, (4-fluorophenyl) 4-tert-butylbenzoate, 4-fluorophenyl 4-(tert-butyl)benzoate, BAS 00649223, 4-tert-Butyl-benzoic acid 4-fluoro-phenyl ester
| Molecular Formula | C17H17FO2 |
|---|---|
| Molecular Weight | 272.12 g/mol |
| LogP | 4.3424 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 272.12125 |
| Heavy Atoms | 20 |
| Complexity | 592.38226 |
Chemical Identifiers
| CAS Number | 331866-01-4 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)F |
Product Overview
4-Fluorophenyl 4-tert-butylbenzoate (CAS 331866-01-4), with molecular formula C17H17FO2 and molecular weight 272.12 g/mol. IUPAC: (4-fluorophenyl) 4-tert-butylbenzoate.
Chemical Property Profile of 4-Fluorophenyl 4-tert-butylbenzoate
Property Insights of 4-Fluorophenyl 4-tert-butylbenzoate
The XLogP value of 4.3424 indicates that 4-Fluorophenyl 4-tert-butylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 4-Fluorophenyl 4-tert-butylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Fluorophenyl 4-tert-butylbenzoate 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 4-Fluorophenyl 4-tert-butylbenzoate?
The CAS number of 4-Fluorophenyl 4-tert-butylbenzoate is 331866-01-4.
What is the molecular formula of 4-Fluorophenyl 4-tert-butylbenzoate?
The molecular formula of 4-Fluorophenyl 4-tert-butylbenzoate is C17H17FO2.
What is the molecular weight of 4-Fluorophenyl 4-tert-butylbenzoate?
The molecular weight of 4-Fluorophenyl 4-tert-butylbenzoate is 272.12 g/mol.
Where can I buy 4-Fluorophenyl 4-tert-butylbenzoate?
You can request a quote for 4-Fluorophenyl 4-tert-butylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Fluorophenyl 4-tert-butylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Fluorophenyl 4-tert-butylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.