2-(4-Fluorophenyl)-2-oxoethyl 3-iodo-4-methoxybenzoate
TL;DR: 2-(4-Fluorophenyl)-2-oxoethyl 3-iodo-4-methoxybenzoate (CAS 443124-55-8) is a chemical compound with molecular formula C16H12FIO4 and molecular weight 413.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-fluorophenyl)-2-oxoethyl] 3-iodo-4-methoxybenzoate
Also Known As: 2-(4-fluorophenyl)-2-oxoethyl 3-iodo-4-methoxybenzoate, [2-(4-fluorophenyl)-2-oxoethyl] 3-iodo-4-methoxybenzoate, [2-(4-fluorophenyl)-2-oxo-ethyl] 3-iodo-4-methoxy-benzoate
| Molecular Formula | C16H12FIO4 |
|---|---|
| Molecular Weight | 413.98 g/mol |
| LogP | 3.4786 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 413.97644 |
| Heavy Atoms | 22 |
| Complexity | 697.79205 |
Chemical Identifiers
| CAS Number | 443124-55-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC=C(C=C2)F)I |
Product Overview
2-(4-Fluorophenyl)-2-oxoethyl 3-iodo-4-methoxybenzoate (CAS 443124-55-8), with molecular formula C16H12FIO4 and molecular weight 413.98 g/mol. IUPAC: [2-(4-fluorophenyl)-2-oxoethyl] 3-iodo-4-methoxybenzoate.
Chemical Property Profile of 2-(4-Fluorophenyl)-2-oxoethyl 3-iodo-4-methoxybenzoate
Property Insights of 2-(4-Fluorophenyl)-2-oxoethyl 3-iodo-4-methoxybenzoate
The XLogP value of 3.4786 indicates that 2-(4-Fluorophenyl)-2-oxoethyl 3-iodo-4-methoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 2-(4-Fluorophenyl)-2-oxoethyl 3-iodo-4-methoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Fluorophenyl)-2-oxoethyl 3-iodo-4-methoxybenzoate has 0 hydrogen bond donor(s) and 4 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 2-(4-Fluorophenyl)-2-oxoethyl 3-iodo-4-methoxybenzoate?
The CAS number of 2-(4-Fluorophenyl)-2-oxoethyl 3-iodo-4-methoxybenzoate is 443124-55-8.
What is the molecular formula of 2-(4-Fluorophenyl)-2-oxoethyl 3-iodo-4-methoxybenzoate?
The molecular formula of 2-(4-Fluorophenyl)-2-oxoethyl 3-iodo-4-methoxybenzoate is C16H12FIO4.
What is the molecular weight of 2-(4-Fluorophenyl)-2-oxoethyl 3-iodo-4-methoxybenzoate?
The molecular weight of 2-(4-Fluorophenyl)-2-oxoethyl 3-iodo-4-methoxybenzoate is 413.98 g/mol.
Where can I buy 2-(4-Fluorophenyl)-2-oxoethyl 3-iodo-4-methoxybenzoate?
You can request a quote for 2-(4-Fluorophenyl)-2-oxoethyl 3-iodo-4-methoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Fluorophenyl)-2-oxoethyl 3-iodo-4-methoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Fluorophenyl)-2-oxoethyl 3-iodo-4-methoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.