2,4-Dibromo-6-methylphenyl 3,4,5-trimethoxybenzoate
TL;DR: 2,4-Dibromo-6-methylphenyl 3,4,5-trimethoxybenzoate (CAS 445408-95-7) is a chemical compound with molecular formula C17H16Br2O5 and molecular weight 457.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,4-dibromo-6-methylphenyl) 3,4,5-trimethoxybenzoate
Also Known As: 2,4-dibromo-6-methylphenyl 3,4,5-trimethoxybenzoate, (2,4-dibromo-6-methylphenyl) 3,4,5-trimethoxybenzoate, AN-329/40887357
| Molecular Formula | C17H16Br2O5 |
|---|---|
| Molecular Weight | 457.94 g/mol |
| LogP | 4.76502 |
| Topological Polar Surface Area | 53.99 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 457.93646 |
| Heavy Atoms | 24 |
| Complexity | 725.5616 |
Chemical Identifiers
| CAS Number | 445408-95-7 |
|---|---|
| SMILES | CC1=CC(=CC(=C1OC(=O)C2=CC(=C(C(=C2)OC)OC)OC)Br)Br |
Product Overview
2,4-Dibromo-6-methylphenyl 3,4,5-trimethoxybenzoate (CAS 445408-95-7), with molecular formula C17H16Br2O5 and molecular weight 457.94 g/mol. IUPAC: (2,4-dibromo-6-methylphenyl) 3,4,5-trimethoxybenzoate.
Chemical Property Profile of 2,4-Dibromo-6-methylphenyl 3,4,5-trimethoxybenzoate
Property Insights of 2,4-Dibromo-6-methylphenyl 3,4,5-trimethoxybenzoate
The XLogP value of 4.76502 indicates that 2,4-Dibromo-6-methylphenyl 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-Dibromo-6-methylphenyl 3,4,5-trimethoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Dibromo-6-methylphenyl 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-Dibromo-6-methylphenyl 3,4,5-trimethoxybenzoate?
The CAS number of 2,4-Dibromo-6-methylphenyl 3,4,5-trimethoxybenzoate is 445408-95-7.
What is the molecular formula of 2,4-Dibromo-6-methylphenyl 3,4,5-trimethoxybenzoate?
The molecular formula of 2,4-Dibromo-6-methylphenyl 3,4,5-trimethoxybenzoate is C17H16Br2O5.
What is the molecular weight of 2,4-Dibromo-6-methylphenyl 3,4,5-trimethoxybenzoate?
The molecular weight of 2,4-Dibromo-6-methylphenyl 3,4,5-trimethoxybenzoate is 457.94 g/mol.
Where can I buy 2,4-Dibromo-6-methylphenyl 3,4,5-trimethoxybenzoate?
You can request a quote for 2,4-Dibromo-6-methylphenyl 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-Dibromo-6-methylphenyl 3,4,5-trimethoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dibromo-6-methylphenyl 3,4,5-trimethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.