2,4-Dibromophenyl 3,4,5-trimethoxybenzoate
TL;DR: 2,4-Dibromophenyl 3,4,5-trimethoxybenzoate (CAS 457923-87-4) is a chemical compound with molecular formula C16H14Br2O5 and molecular weight 443.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,4-dibromophenyl) 3,4,5-trimethoxybenzoate
Also Known As: 2,4-dibromophenyl 3,4,5-trimethoxybenzoate, (2,4-dibromophenyl) 3,4,5-trimethoxybenzoate, AN-329/40020318, 3,4,5-Trimethoxy-benzoic acid naphthalen-1-yl ester
| Molecular Formula | C16H14Br2O5 |
|---|---|
| Molecular Weight | 443.92 g/mol |
| LogP | 4.4566 |
| Topological Polar Surface Area | 53.99 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 443.9208 |
| Heavy Atoms | 23 |
| Complexity | 705.4008 |
Chemical Identifiers
| CAS Number | 457923-87-4 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)OC2=C(C=C(C=C2)Br)Br |
Product Overview
2,4-Dibromophenyl 3,4,5-trimethoxybenzoate (CAS 457923-87-4), with molecular formula C16H14Br2O5 and molecular weight 443.92 g/mol. IUPAC: (2,4-dibromophenyl) 3,4,5-trimethoxybenzoate.
Chemical Property Profile of 2,4-Dibromophenyl 3,4,5-trimethoxybenzoate
Property Insights of 2,4-Dibromophenyl 3,4,5-trimethoxybenzoate
The XLogP value of 4.4566 indicates that 2,4-Dibromophenyl 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, 2,4-Dibromophenyl 3,4,5-trimethoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Dibromophenyl 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 2,4-Dibromophenyl 3,4,5-trimethoxybenzoate?
The CAS number of 2,4-Dibromophenyl 3,4,5-trimethoxybenzoate is 457923-87-4.
What is the molecular formula of 2,4-Dibromophenyl 3,4,5-trimethoxybenzoate?
The molecular formula of 2,4-Dibromophenyl 3,4,5-trimethoxybenzoate is C16H14Br2O5.
What is the molecular weight of 2,4-Dibromophenyl 3,4,5-trimethoxybenzoate?
The molecular weight of 2,4-Dibromophenyl 3,4,5-trimethoxybenzoate is 443.92 g/mol.
Where can I buy 2,4-Dibromophenyl 3,4,5-trimethoxybenzoate?
You can request a quote for 2,4-Dibromophenyl 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 2,4-Dibromophenyl 3,4,5-trimethoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dibromophenyl 3,4,5-trimethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.