Avobenzone
TL;DR: Avobenzone (CAS 70356-09-1) is a chemical compound with molecular formula C20H22O3 and molecular weight 310.1569 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-tert-butylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione
Also Known As: Avobenzone, Parsol 1789, Avobenzona, Photoplex, Avobenzonum
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C20H22O3 |
| Molecular Weight | 310.1569 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 310.1569 Da |
| Heavy Atoms | 23 |
| Complexity | 405.0 |
| Melting Point | 83.5 °C |
| Vapor Pressure | 0.0000014 [mmHg] |
| Solubility | Solubility at 20 °C: glycerin, 0.1% w/w; ethanol and isopropanol, 2% w/w |
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)CC(=O)C2=CC=C(C=C2)OC |
| InChIKey | XNEFYCZVKIDDMS-UHFFFAOYSA-N |
Chemical Property Profile of Avobenzone
Property Insights of Avobenzone
The XLogP value of 4.8 indicates that Avobenzone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, Avobenzone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Avobenzone has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Avobenzone?
The CAS number of Avobenzone is 70356-09-1.
What is the molecular formula of Avobenzone?
The molecular formula of Avobenzone is C20H22O3.
What is the molecular weight of Avobenzone?
The molecular weight of Avobenzone is 310.1569 g/mol.
Where can I buy Avobenzone?
You can request a quote for Avobenzone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Avobenzone?
Yes, CoreyChem provides custom synthesis services for Avobenzone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.