1,2-二苯基乙酮
TL;DR: 1,2-二苯基乙酮 (CAS 451-40-1) is a chemical compound with molecular formula C14H12O and molecular weight 196.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-二苯基乙酮
1,2-diphenylethanone
Also Known As: Deoxybenzoin, 2-Phenylacetophenone, 1,2-Diphenylethanone, Benzyl phenyl ketone, DESOXYBENZOIN
| Molecular Formula | C14H12O |
|---|---|
| Molecular Weight | 196.09 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 196.08882 |
| Heavy Atoms | 15 |
| Complexity | 197.0 |
Chemical Identifiers
| CAS Number | 451-40-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(=O)C2=CC=CC=C2 |
| InChIKey | OTKCEEWUXHVZQI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-二苯基乙酮 (CAS 451-40-1), with molecular formula C14H12O and molecular weight 196.09 g/mol. IUPAC: 1,2-diphenylethanone.
Chemical Property Profile of 1,2-二苯基乙酮
Property Insights of 1,2-二苯基乙酮
The XLogP value of 3.2 indicates that 1,2-二苯基乙酮 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 1,2-二苯基乙酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-二苯基乙酮 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 1,2-二苯基乙酮?
The CAS number of 1,2-二苯基乙酮 is 451-40-1.
What is the molecular formula of 1,2-二苯基乙酮?
The molecular formula of 1,2-二苯基乙酮 is C14H12O.
What is the molecular weight of 1,2-二苯基乙酮?
The molecular weight of 1,2-二苯基乙酮 is 196.09 g/mol.
Where can I buy 1,2-二苯基乙酮?
You can request a quote for 1,2-二苯基乙酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-二苯基乙酮?
Yes, KEHONG BIO provides custom synthesis services for 1,2-二苯基乙酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.