![4-[3-(3,5-Ditert-butylphenyl)-3-oxoprop-1-enyl]benzoic acid structure](/static/products/9590/95906-67-5.webp)
4-[3-(3,5-Ditert-butylphenyl)-3-oxoprop-1-enyl]benzoic acid
TL;DR: 4-[3-(3,5-Ditert-butylphenyl)-3-oxoprop-1-enyl]benzoic acid (CAS 95906-67-5) is a chemical compound with molecular formula C24H28O3 and molecular weight 364.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-(3,5-ditert-butylphenyl)-3-oxoprop-1-enyl]benzoic acid
Also Known As: 3,5-Di-tert-butylchalcone, CH 55, CH55, NCI60_004718, 3,5-di-tert-butylchalcone4'-carboxylicacid
| Molecular Formula | C24H28O3 |
|---|---|
| Molecular Weight | 364.20 g/mol |
| LogP | 6.6 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 364.20386 |
| Heavy Atoms | 27 |
| Complexity | 531.0 |
Chemical Identifiers
| CAS Number | 95906-67-5 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=CC(=C1)C(=O)C=CC2=CC=C(C=C2)C(=O)O)C(C)(C)C |
| InChIKey | FOUVTBKPJRMLPE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-[3-(3,5-Ditert-butylphenyl)-3-oxoprop-1-enyl]benzoic acid (CAS 95906-67-5), with molecular formula C24H28O3 and molecular weight 364.20 g/mol. IUPAC: 4-[3-(3,5-ditert-butylphenyl)-3-oxoprop-1-enyl]benzoic acid.
Chemical Property Profile of 4-[3-(3,5-Ditert-butylphenyl)-3-oxoprop-1-enyl]benzoic acid
Property Insights of 4-[3-(3,5-Ditert-butylphenyl)-3-oxoprop-1-enyl]benzoic acid
The XLogP value of 6.6 indicates that 4-[3-(3,5-Ditert-butylphenyl)-3-oxoprop-1-enyl]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, 4-[3-(3,5-Ditert-butylphenyl)-3-oxoprop-1-enyl]benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[3-(3,5-Ditert-butylphenyl)-3-oxoprop-1-enyl]benzoic acid has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-[3-(3,5-Ditert-butylphenyl)-3-oxoprop-1-enyl]benzoic acid?
The CAS number of 4-[3-(3,5-Ditert-butylphenyl)-3-oxoprop-1-enyl]benzoic acid is 95906-67-5.
What is the molecular formula of 4-[3-(3,5-Ditert-butylphenyl)-3-oxoprop-1-enyl]benzoic acid?
The molecular formula of 4-[3-(3,5-Ditert-butylphenyl)-3-oxoprop-1-enyl]benzoic acid is C24H28O3.
What is the molecular weight of 4-[3-(3,5-Ditert-butylphenyl)-3-oxoprop-1-enyl]benzoic acid?
The molecular weight of 4-[3-(3,5-Ditert-butylphenyl)-3-oxoprop-1-enyl]benzoic acid is 364.20 g/mol.
Where can I buy 4-[3-(3,5-Ditert-butylphenyl)-3-oxoprop-1-enyl]benzoic acid?
You can request a quote for 4-[3-(3,5-Ditert-butylphenyl)-3-oxoprop-1-enyl]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[3-(3,5-Ditert-butylphenyl)-3-oxoprop-1-enyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[3-(3,5-Ditert-butylphenyl)-3-oxoprop-1-enyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.