二苯甲酮
TL;DR: 二苯甲酮 (CAS 119-61-9) is a chemical compound with molecular formula C13H10O and molecular weight 182.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二苯甲酮
diphenylmethanone
Also Known As: BENZOPHENONE, diphenylmethanone, Diphenyl ketone, Benzoylbenzene, Phenyl ketone
| Molecular Formula | C13H10O |
|---|---|
| Molecular Weight | 182.07 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 182.07317 |
| Heavy Atoms | 14 |
| Complexity | 165.0 |
| Melting Point | alpha-83.7 °C; beta-61.7 °C; gamma-82.8 °C. |
| Boiling Point | 305.9 °C at 760 mmHg |
| Density | 1.085 at 50.0 °C |
| Solubility | Insoluble (<1 mg/ml at 77 °F) (NTP, 1992) |
| Flash Point | greater than 132.2 °C |
| Vapor Pressure | 0.00193 [mmHg] |
| Refractive Index | = 1.6077 at 19 °C |
Chemical Identifiers
| CAS Number | 119-61-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C2=CC=CC=C2 |
| InChIKey | RWCCWEUUXYIKHB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
二苯甲酮 (CAS 119-61-9), with molecular formula C13H10O and molecular weight 182.07 g/mol. IUPAC: diphenylmethanone.
Chemical Property Profile of 二苯甲酮
Property Insights of 二苯甲酮
The XLogP value of 3.4 indicates that 二苯基甲酮 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 二苯甲酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 二苯基甲酮 has 0 hydrogen bond donor(s) and 1 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 二苯基甲酮?
The CAS number of 二苯基甲酮 is 119-61-9.
What is the molecular formula of 二苯基甲酮?
The molecular formula of 二苯基甲酮 is C13H10O.
What is the molecular weight of 二苯基甲酮?
The molecular weight of 二苯基甲酮 is 182.07 g/mol.
Where can I buy 二苯基甲酮?
You can request a quote for 二苯基甲酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二苯基甲酮?
Yes, KEHONG BIO provides custom synthesis services for 二苯基甲酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.