二苯甲酰甲烷
TL;DR: 二苯甲酰甲烷 (CAS 120-46-7) is a chemical compound with molecular formula C15H12O2 and molecular weight 224.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二苯甲酰甲烷
1,3-diphenylpropane-1,3-dione
Also Known As: Dibenzoylmethane, 1,3-Diphenylpropane-1,3-dione, 2-Benzoylacetophenone, 1,3-DIPHENYL-1,3-PROPANEDIONE, Phenyl phenacyl ketone
| Molecular Formula | C15H12O2 |
|---|---|
| Molecular Weight | 224.08 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 224.08372 |
| Heavy Atoms | 17 |
| Complexity | 243.0 |
Chemical Identifiers
| CAS Number | 120-46-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)CC(=O)C2=CC=CC=C2 |
| InChIKey | NZZIMKJIVMHWJC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
二苯甲酰甲烷 (CAS 120-46-7), with molecular formula C15H12O2 and molecular weight 224.08 g/mol. IUPAC: 1,3-diphenylpropane-1,3-dione.
Chemical Property Profile of 二苯甲酰甲烷
Property Insights of 二苯甲酰甲烷
The XLogP value of 3.1 indicates that 二苯甲酰甲烷 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.1 Ų, 二苯甲酰甲烷 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 二苯甲酰甲烷 has 0 hydrogen bond donor(s) and 2 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 二苯甲酰甲烷?
The CAS number of 二苯甲酰甲烷 is 120-46-7.
What is the molecular formula of 二苯甲酰甲烷?
The molecular formula of 二苯甲酰甲烷 is C15H12O2.
What is the molecular weight of 二苯甲酰甲烷?
The molecular weight of 二苯甲酰甲烷 is 224.08 g/mol.
Where can I buy 二苯甲酰甲烷?
You can request a quote for 二苯甲酰甲烷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二苯甲酰甲烷?
Yes, KEHONG BIO provides custom synthesis services for 二苯甲酰甲烷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.