Octabenzone
TL;DR: Octabenzone (CAS 1843-05-6) is a chemical compound with molecular formula C21H26O3 and molecular weight 326.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-hydroxy-4-octoxyphenyl)-phenylmethanone
Also Known As: Octabenzone, Benzophenone 12, Benzon OO, Octabenzona, Seikalizer E
| Molecular Formula | C21H26O3 |
|---|---|
| Molecular Weight | 326.19 g/mol |
| LogP | 6.8 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 326.1882 |
| Heavy Atoms | 24 |
| Complexity | 349.0 |
| Melting Point | 45-46 °C |
| Boiling Point | >300 °C decomposes |
| Density | 1160 kg/cu m at 20 °C |
| Solubility | In water, <0.001 mg/L at 20 °C, pH 6 /OECD Guideline 105 (Water Solubility)/ |
| Vapor Pressure | 3.38X10-8 mm Hg at 20 °C (measured by transpiration method) |
Chemical Identifiers
| CAS Number | 1843-05-6 |
|---|---|
| SMILES | CCCCCCCCOC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)O |
| InChIKey | QUAMTGJKVDWJEQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Octabenzone (CAS 1843-05-6), with molecular formula C21H26O3 and molecular weight 326.19 g/mol. IUPAC: (2-hydroxy-4-octoxyphenyl)-phenylmethanone.
Chemical Property Profile of Octabenzone
Property Insights of Octabenzone
The XLogP value of 6.8 indicates that Octabenzone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, Octabenzone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octabenzone 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 Octabenzone?
The CAS number of Octabenzone is 1843-05-6.
What is the molecular formula of Octabenzone?
The molecular formula of Octabenzone is C21H26O3.
What is the molecular weight of Octabenzone?
The molecular weight of Octabenzone is 326.19 g/mol.
Where can I buy Octabenzone?
You can request a quote for Octabenzone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octabenzone?
Yes, KEHONG BIO provides custom synthesis services for Octabenzone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.