4-(4-Dodecylphenyl)-4-oxobut-2-enoic acid
TL;DR: 4-(4-Dodecylphenyl)-4-oxobut-2-enoic acid (CAS 52497-79-7) is a chemical compound with molecular formula C22H32O3 and molecular weight 344.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-dodecylphenyl)-4-oxobut-2-enoic acid
Also Known As: 4-(4-dodecylphenyl)-4-oxobut-2-enoic acid, (E)-4-(4-dodecylphenyl)-4-oxobut-2-enoic acid
| Molecular Formula | C22H32O3 |
|---|---|
| Molecular Weight | 344.24 g/mol |
| LogP | 7.6 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 14 |
| Exact Mass | 344.23514 |
| Heavy Atoms | 25 |
| Complexity | 392.0 |
Chemical Identifiers
| CAS Number | 52497-79-7 |
|---|---|
| SMILES | CCCCCCCCCCCCC1=CC=C(C=C1)C(=O)C=CC(=O)O |
| InChIKey | APVXBFBAVQYGRD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(4-Dodecylphenyl)-4-oxobut-2-enoic acid (CAS 52497-79-7), with molecular formula C22H32O3 and molecular weight 344.24 g/mol. IUPAC: 4-(4-dodecylphenyl)-4-oxobut-2-enoic acid.
Chemical Property Profile of 4-(4-Dodecylphenyl)-4-oxobut-2-enoic acid
Property Insights of 4-(4-Dodecylphenyl)-4-oxobut-2-enoic acid
The XLogP value of 7.6 indicates that 4-(4-Dodecylphenyl)-4-oxobut-2-enoic 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-(4-Dodecylphenyl)-4-oxobut-2-enoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Dodecylphenyl)-4-oxobut-2-enoic 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-(4-Dodecylphenyl)-4-oxobut-2-enoic acid?
The CAS number of 4-(4-Dodecylphenyl)-4-oxobut-2-enoic acid is 52497-79-7.
What is the molecular formula of 4-(4-Dodecylphenyl)-4-oxobut-2-enoic acid?
The molecular formula of 4-(4-Dodecylphenyl)-4-oxobut-2-enoic acid is C22H32O3.
What is the molecular weight of 4-(4-Dodecylphenyl)-4-oxobut-2-enoic acid?
The molecular weight of 4-(4-Dodecylphenyl)-4-oxobut-2-enoic acid is 344.24 g/mol.
Where can I buy 4-(4-Dodecylphenyl)-4-oxobut-2-enoic acid?
You can request a quote for 4-(4-Dodecylphenyl)-4-oxobut-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Dodecylphenyl)-4-oxobut-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Dodecylphenyl)-4-oxobut-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.