羟苯甲酮
TL;DR: 羟苯甲酮 (CAS 131-57-7) is a chemical compound with molecular formula C14H12O3 and molecular weight 228.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
羟苯甲酮
(2-hydroxy-4-methoxyphenyl)-phenylmethanone
Also Known As: oxybenzone, 2-HYDROXY-4-METHOXYBENZOPHENONE, Oxybenzon, Anuvex, Oxibenzona
| Molecular Formula | C14H12O3 |
|---|---|
| Molecular Weight | 228.08 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 228.07864 |
| Heavy Atoms | 17 |
| Complexity | 258.0 |
| Melting Point | 66.1 °C |
| Boiling Point | 302 to 160.0 °C at 5 mmHg |
| Density | 1.32 at 25 °C |
| Solubility | less than 1 mg/mL at 68 °F (NTP, 1992) |
| Flash Point | 100 °C (100.0 °C) - closed cup |
| Vapor Pressure | 0.00000142 [mmHg] |
Chemical Identifiers
| CAS Number | 131-57-7 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)O |
| InChIKey | DXGLGDHPHMLXJC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
羟苯甲酮 (CAS 131-57-7), with molecular formula C14H12O3 and molecular weight 228.08 g/mol. IUPAC: (2-hydroxy-4-methoxyphenyl)-phenylmethanone.
Chemical Property Profile of 羟苯甲酮
Property Insights of 羟苯甲酮
The XLogP value of 3.6 indicates that 羟苯甲酮 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 羟苯甲酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 羟苯甲酮 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 羟苯甲酮?
The CAS number of 羟苯甲酮 is 131-57-7.
What is the molecular formula of 羟苯甲酮?
The molecular formula of 羟苯甲酮 is C14H12O3.
What is the molecular weight of 羟苯甲酮?
The molecular weight of 羟苯甲酮 is 228.08 g/mol.
Where can I buy 羟苯甲酮?
You can request a quote for 羟苯甲酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 羟苯甲酮?
Yes, KEHONG BIO provides custom synthesis services for 羟苯甲酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.