4-Fluorobenzyl 2,6-dibromo-3,4,5-trimethoxybenzoate
TL;DR: 4-Fluorobenzyl 2,6-dibromo-3,4,5-trimethoxybenzoate (CAS 786663-93-2) is a chemical compound with molecular formula C17H15Br2FO5 and molecular weight 475.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-fluorophenyl)methyl 2,6-dibromo-3,4,5-trimethoxybenzoate
Also Known As: 4-fluorobenzyl 2,6-dibromo-3,4,5-trimethoxybenzoate, (4-fluorophenyl)methyl 2,6-dibromo-3,4,5-trimethoxybenzoate, AS-871/43476558, F3099-4236, (4-fluorophenyl)methyl 2,6-dibromo-3,4,5-trimethoxy-benzoate
| Molecular Formula | C17H15Br2FO5 |
|---|---|
| Molecular Weight | 475.93 g/mol |
| LogP | 4.7335 |
| Topological Polar Surface Area | 53.99 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 475.92703 |
| Heavy Atoms | 25 |
| Complexity | 746.5931 |
Chemical Identifiers
| CAS Number | 786663-93-2 |
|---|---|
| SMILES | COC1=C(C(=C(C(=C1OC)Br)C(=O)OCC2=CC=C(C=C2)F)Br)OC |
Product Overview
4-Fluorobenzyl 2,6-dibromo-3,4,5-trimethoxybenzoate (CAS 786663-93-2), with molecular formula C17H15Br2FO5 and molecular weight 475.93 g/mol. IUPAC: (4-fluorophenyl)methyl 2,6-dibromo-3,4,5-trimethoxybenzoate.
Chemical Property Profile of 4-Fluorobenzyl 2,6-dibromo-3,4,5-trimethoxybenzoate
Property Insights of 4-Fluorobenzyl 2,6-dibromo-3,4,5-trimethoxybenzoate
The XLogP value of 4.7335 indicates that 4-Fluorobenzyl 2,6-dibromo-3,4,5-trimethoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.99 Ų, 4-Fluorobenzyl 2,6-dibromo-3,4,5-trimethoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Fluorobenzyl 2,6-dibromo-3,4,5-trimethoxybenzoate has 0 hydrogen bond donor(s) and 5 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-Fluorobenzyl 2,6-dibromo-3,4,5-trimethoxybenzoate?
The CAS number of 4-Fluorobenzyl 2,6-dibromo-3,4,5-trimethoxybenzoate is 786663-93-2.
What is the molecular formula of 4-Fluorobenzyl 2,6-dibromo-3,4,5-trimethoxybenzoate?
The molecular formula of 4-Fluorobenzyl 2,6-dibromo-3,4,5-trimethoxybenzoate is C17H15Br2FO5.
What is the molecular weight of 4-Fluorobenzyl 2,6-dibromo-3,4,5-trimethoxybenzoate?
The molecular weight of 4-Fluorobenzyl 2,6-dibromo-3,4,5-trimethoxybenzoate is 475.93 g/mol.
Where can I buy 4-Fluorobenzyl 2,6-dibromo-3,4,5-trimethoxybenzoate?
You can request a quote for 4-Fluorobenzyl 2,6-dibromo-3,4,5-trimethoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Fluorobenzyl 2,6-dibromo-3,4,5-trimethoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Fluorobenzyl 2,6-dibromo-3,4,5-trimethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.