4-Tert-butylphenyl 3,4,5-trimethoxybenzoate
TL;DR: 4-Tert-butylphenyl 3,4,5-trimethoxybenzoate (CAS 452926-99-7) is a chemical compound with molecular formula C20H24O5 and molecular weight 344.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-tert-butylphenyl) 3,4,5-trimethoxybenzoate
Also Known As: 4-tert-butylphenyl 3,4,5-trimethoxybenzoate, (4-tert-butylphenyl) 3,4,5-trimethoxybenzoate, 4-(tert-butyl)phenyl 3,4,5-trimethoxybenzoate, AN-329/10787032
| Molecular Formula | C20H24O5 |
|---|---|
| Molecular Weight | 344.16 g/mol |
| LogP | 4.2291 |
| Topological Polar Surface Area | 53.99 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 344.16238 |
| Heavy Atoms | 25 |
| Complexity | 716.66724 |
Chemical Identifiers
| CAS Number | 452926-99-7 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)OC(=O)C2=CC(=C(C(=C2)OC)OC)OC |
Product Overview
4-Tert-butylphenyl 3,4,5-trimethoxybenzoate (CAS 452926-99-7), with molecular formula C20H24O5 and molecular weight 344.16 g/mol. IUPAC: (4-tert-butylphenyl) 3,4,5-trimethoxybenzoate.
Chemical Property Profile of 4-Tert-butylphenyl 3,4,5-trimethoxybenzoate
Property Insights of 4-Tert-butylphenyl 3,4,5-trimethoxybenzoate
The XLogP value of 4.2291 indicates that 4-Tert-butylphenyl 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-Tert-butylphenyl 3,4,5-trimethoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Tert-butylphenyl 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-Tert-butylphenyl 3,4,5-trimethoxybenzoate?
The CAS number of 4-Tert-butylphenyl 3,4,5-trimethoxybenzoate is 452926-99-7.
What is the molecular formula of 4-Tert-butylphenyl 3,4,5-trimethoxybenzoate?
The molecular formula of 4-Tert-butylphenyl 3,4,5-trimethoxybenzoate is C20H24O5.
What is the molecular weight of 4-Tert-butylphenyl 3,4,5-trimethoxybenzoate?
The molecular weight of 4-Tert-butylphenyl 3,4,5-trimethoxybenzoate is 344.16 g/mol.
Where can I buy 4-Tert-butylphenyl 3,4,5-trimethoxybenzoate?
You can request a quote for 4-Tert-butylphenyl 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-Tert-butylphenyl 3,4,5-trimethoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Tert-butylphenyl 3,4,5-trimethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.