2-Hydroxy-4-(octadecyloxy)benzophenone
TL;DR: 2-Hydroxy-4-(octadecyloxy)benzophenone (CAS 3457-13-4) is a chemical compound with molecular formula C31H46O3 and molecular weight 466.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-hydroxy-4-octadecoxyphenyl)-phenylmethanone
Also Known As: Isothebaine, -PHENYL-METHANONE, 2-Hydroxy-4-(octadecyloxy)benzophenone, 2-benzoyl-5-(octadecyloxy)phenol, Benzophenone, 2-hydroxy-4-octadecyloxy-
| Molecular Formula | C31H46O3 |
|---|---|
| Molecular Weight | 466.34 g/mol |
| LogP | 12.3 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 20 |
| Exact Mass | 466.3447 |
| Heavy Atoms | 34 |
| Complexity | 485.0 |
Chemical Identifiers
| CAS Number | 3457-13-4 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)O |
| InChIKey | POLSVAXEEHDBMJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Hydroxy-4-(octadecyloxy)benzophenone (CAS 3457-13-4), with molecular formula C31H46O3 and molecular weight 466.34 g/mol. IUPAC: (2-hydroxy-4-octadecoxyphenyl)-phenylmethanone.
Chemical Property Profile of 2-Hydroxy-4-(octadecyloxy)benzophenone
Property Insights of 2-Hydroxy-4-(octadecyloxy)benzophenone
The XLogP value of 12.3 indicates that 2-Hydroxy-4-(octadecyloxy)benzophenone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 2-Hydroxy-4-(octadecyloxy)benzophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Hydroxy-4-(octadecyloxy)benzophenone 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 2-Hydroxy-4-(octadecyloxy)benzophenone?
The CAS number of 2-Hydroxy-4-(octadecyloxy)benzophenone is 3457-13-4.
What is the molecular formula of 2-Hydroxy-4-(octadecyloxy)benzophenone?
The molecular formula of 2-Hydroxy-4-(octadecyloxy)benzophenone is C31H46O3.
What is the molecular weight of 2-Hydroxy-4-(octadecyloxy)benzophenone?
The molecular weight of 2-Hydroxy-4-(octadecyloxy)benzophenone is 466.34 g/mol.
Where can I buy 2-Hydroxy-4-(octadecyloxy)benzophenone?
You can request a quote for 2-Hydroxy-4-(octadecyloxy)benzophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Hydroxy-4-(octadecyloxy)benzophenone?
Yes, KEHONG BIO provides custom synthesis services for 2-Hydroxy-4-(octadecyloxy)benzophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.