Tribenzoylmethane
TL;DR: Tribenzoylmethane (CAS 641-44-1) is a chemical compound with molecular formula C22H16O3 and molecular weight 328.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzoyl-1,3-diphenylpropane-1,3-dione
Also Known As: TRIBENZOYLMETHANE, tribenzoylmethan, 2-benzoyl-1,3-diphenylpropane-1,3-dione, ChemDiv2_000289, 1,3-Propanedione,2-benzoyl-1,3-diphenyl-
| Molecular Formula | C22H16O3 |
|---|---|
| Molecular Weight | 328.11 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 51.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 328.10995 |
| Heavy Atoms | 25 |
| Complexity | 406.0 |
Chemical Identifiers
| CAS Number | 641-44-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C(C(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3 |
| InChIKey | CTUQBZGKHZPYJF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tribenzoylmethane (CAS 641-44-1), with molecular formula C22H16O3 and molecular weight 328.11 g/mol. IUPAC: 2-benzoyl-1,3-diphenylpropane-1,3-dione.
Chemical Property Profile of Tribenzoylmethane
Property Insights of Tribenzoylmethane
The XLogP value of 4.7 indicates that Tribenzoylmethane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.2 Ų, Tribenzoylmethane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tribenzoylmethane has 0 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 Tribenzoylmethane?
The CAS number of Tribenzoylmethane is 641-44-1.
What is the molecular formula of Tribenzoylmethane?
The molecular formula of Tribenzoylmethane is C22H16O3.
What is the molecular weight of Tribenzoylmethane?
The molecular weight of Tribenzoylmethane is 328.11 g/mol.
Where can I buy Tribenzoylmethane?
You can request a quote for Tribenzoylmethane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tribenzoylmethane?
Yes, KEHONG BIO provides custom synthesis services for Tribenzoylmethane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.