4-Bromo-5-isopropyl-2-methylphenyl 2-fluorobenzenecarboxylate
TL;DR: 4-Bromo-5-isopropyl-2-methylphenyl 2-fluorobenzenecarboxylate (CAS 439094-85-6) is a chemical compound with molecular formula C17H16BrFO2 and molecular weight 350.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-bromo-2-methyl-5-propan-2-ylphenyl) 2-fluorobenzoate
Also Known As: 4-bromo-5-isopropyl-2-methylphenyl 2-fluorobenzenecarboxylate, 4-bromo-2-methyl-5-(propan-2-yl)phenyl 2-fluorobenzoate, (4-bromo-2-methyl-5-propan-2-ylphenyl) 2-fluorobenzoate, (4-bromo-5-isopropyl-2-methyl-phenyl) 2-fluorobenzoate, 4-bromo-2-methyl-5-(propan-2-yl)phenyl2-fluorobenzoate
| Molecular Formula | C17H16BrFO2 |
|---|---|
| Molecular Weight | 350.03 g/mol |
| LogP | 5.23922 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 350.03177 |
| Heavy Atoms | 21 |
| Complexity | 680.4855 |
Chemical Identifiers
| CAS Number | 439094-85-6 |
|---|---|
| SMILES | CC1=CC(=C(C=C1OC(=O)C2=CC=CC=C2F)C(C)C)Br |
Product Overview
4-Bromo-5-isopropyl-2-methylphenyl 2-fluorobenzenecarboxylate (CAS 439094-85-6), with molecular formula C17H16BrFO2 and molecular weight 350.03 g/mol. IUPAC: (4-bromo-2-methyl-5-propan-2-ylphenyl) 2-fluorobenzoate.
Chemical Property Profile of 4-Bromo-5-isopropyl-2-methylphenyl 2-fluorobenzenecarboxylate
Property Insights of 4-Bromo-5-isopropyl-2-methylphenyl 2-fluorobenzenecarboxylate
The XLogP value of 5.23922 indicates that 4-Bromo-5-isopropyl-2-methylphenyl 2-fluorobenzenecarboxylate 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-Bromo-5-isopropyl-2-methylphenyl 2-fluorobenzenecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-5-isopropyl-2-methylphenyl 2-fluorobenzenecarboxylate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Bromo-5-isopropyl-2-methylphenyl 2-fluorobenzenecarboxylate?
The CAS number of 4-Bromo-5-isopropyl-2-methylphenyl 2-fluorobenzenecarboxylate is 439094-85-6.
What is the molecular formula of 4-Bromo-5-isopropyl-2-methylphenyl 2-fluorobenzenecarboxylate?
The molecular formula of 4-Bromo-5-isopropyl-2-methylphenyl 2-fluorobenzenecarboxylate is C17H16BrFO2.
What is the molecular weight of 4-Bromo-5-isopropyl-2-methylphenyl 2-fluorobenzenecarboxylate?
The molecular weight of 4-Bromo-5-isopropyl-2-methylphenyl 2-fluorobenzenecarboxylate is 350.03 g/mol.
Where can I buy 4-Bromo-5-isopropyl-2-methylphenyl 2-fluorobenzenecarboxylate?
You can request a quote for 4-Bromo-5-isopropyl-2-methylphenyl 2-fluorobenzenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromo-5-isopropyl-2-methylphenyl 2-fluorobenzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-5-isopropyl-2-methylphenyl 2-fluorobenzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.