4-Bromo-2-isopropyl-5-methylphenyl 3,4,5-trimethoxybenzoate
TL;DR: 4-Bromo-2-isopropyl-5-methylphenyl 3,4,5-trimethoxybenzoate (CAS 457924-22-0) is a chemical compound with molecular formula C20H23BrO5 and molecular weight 422.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-bromo-5-methyl-2-propan-2-ylphenyl) 3,4,5-trimethoxybenzoate
Also Known As: 4-bromo-2-isopropyl-5-methylphenyl 3,4,5-trimethoxybenzoate, AN-329/40887382, (4-bromo-5-methyl-2-propan-2-ylphenyl) 3,4,5-trimethoxybenzoate, 4-bromo-5-methyl-2-(methylethyl)phenyl 3,4,5-trimethoxybenzoate, 4-bromo-5-methyl-2-(propan-2-yl)phenyl 3,4,5-trimethoxybenzoate
| Molecular Formula | C20H23BrO5 |
|---|---|
| Molecular Weight | 422.07 g/mol |
| LogP | 5.12592 |
| Topological Polar Surface Area | 53.99 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 422.07288 |
| Heavy Atoms | 26 |
| Complexity | 789.0842 |
Chemical Identifiers
| CAS Number | 457924-22-0 |
|---|---|
| SMILES | CC1=CC(=C(C=C1Br)C(C)C)OC(=O)C2=CC(=C(C(=C2)OC)OC)OC |
Product Overview
4-Bromo-2-isopropyl-5-methylphenyl 3,4,5-trimethoxybenzoate (CAS 457924-22-0), with molecular formula C20H23BrO5 and molecular weight 422.07 g/mol. IUPAC: (4-bromo-5-methyl-2-propan-2-ylphenyl) 3,4,5-trimethoxybenzoate.
Chemical Property Profile of 4-Bromo-2-isopropyl-5-methylphenyl 3,4,5-trimethoxybenzoate
Property Insights of 4-Bromo-2-isopropyl-5-methylphenyl 3,4,5-trimethoxybenzoate
The XLogP value of 5.12592 indicates that 4-Bromo-2-isopropyl-5-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, 4-Bromo-2-isopropyl-5-methylphenyl 3,4,5-trimethoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-2-isopropyl-5-methylphenyl 3,4,5-trimethoxybenzoate has 0 hydrogen bond donor(s) and 5 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-2-isopropyl-5-methylphenyl 3,4,5-trimethoxybenzoate?
The CAS number of 4-Bromo-2-isopropyl-5-methylphenyl 3,4,5-trimethoxybenzoate is 457924-22-0.
What is the molecular formula of 4-Bromo-2-isopropyl-5-methylphenyl 3,4,5-trimethoxybenzoate?
The molecular formula of 4-Bromo-2-isopropyl-5-methylphenyl 3,4,5-trimethoxybenzoate is C20H23BrO5.
What is the molecular weight of 4-Bromo-2-isopropyl-5-methylphenyl 3,4,5-trimethoxybenzoate?
The molecular weight of 4-Bromo-2-isopropyl-5-methylphenyl 3,4,5-trimethoxybenzoate is 422.07 g/mol.
Where can I buy 4-Bromo-2-isopropyl-5-methylphenyl 3,4,5-trimethoxybenzoate?
You can request a quote for 4-Bromo-2-isopropyl-5-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 4-Bromo-2-isopropyl-5-methylphenyl 3,4,5-trimethoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-2-isopropyl-5-methylphenyl 3,4,5-trimethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.