4-Fluorobenzoic acid, 4-isopropylphenyl ester
TL;DR: 4-Fluorobenzoic acid, 4-isopropylphenyl ester (CAS 6986-73-8) is a chemical compound with molecular formula C16H15FO2 and molecular weight 258.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-propan-2-ylphenyl) 4-fluorobenzoate
Also Known As: (4-propan-2-ylphenyl) 4-fluorobenzoate, 4-(Propan-2-yl)phenyl 4-fluorobenzoate, 4-Fluorobenzoic acid, 4-isopropylphenyl ester
| Molecular Formula | C16H15FO2 |
|---|---|
| Molecular Weight | 258.11 g/mol |
| LogP | 4.1683 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 258.10562 |
| Heavy Atoms | 19 |
| Complexity | 556.30774 |
Chemical Identifiers
| CAS Number | 6986-73-8 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)F |
Product Overview
4-Fluorobenzoic acid, 4-isopropylphenyl ester (CAS 6986-73-8), with molecular formula C16H15FO2 and molecular weight 258.11 g/mol. IUPAC: (4-propan-2-ylphenyl) 4-fluorobenzoate.
Chemical Property Profile of 4-Fluorobenzoic acid, 4-isopropylphenyl ester
Property Insights of 4-Fluorobenzoic acid, 4-isopropylphenyl ester
The XLogP value of 4.1683 indicates that 4-Fluorobenzoic acid, 4-isopropylphenyl ester 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-Fluorobenzoic acid, 4-isopropylphenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Fluorobenzoic acid, 4-isopropylphenyl ester 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-Fluorobenzoic acid, 4-isopropylphenyl ester?
The CAS number of 4-Fluorobenzoic acid, 4-isopropylphenyl ester is 6986-73-8.
What is the molecular formula of 4-Fluorobenzoic acid, 4-isopropylphenyl ester?
The molecular formula of 4-Fluorobenzoic acid, 4-isopropylphenyl ester is C16H15FO2.
What is the molecular weight of 4-Fluorobenzoic acid, 4-isopropylphenyl ester?
The molecular weight of 4-Fluorobenzoic acid, 4-isopropylphenyl ester is 258.11 g/mol.
Where can I buy 4-Fluorobenzoic acid, 4-isopropylphenyl ester?
You can request a quote for 4-Fluorobenzoic acid, 4-isopropylphenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Fluorobenzoic acid, 4-isopropylphenyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-Fluorobenzoic acid, 4-isopropylphenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.