1,4-Butanedione, 1,2,4-triphenyl-
TL;DR: 1,4-Butanedione, 1,2,4-triphenyl- (CAS 4441-01-4) is a chemical compound with molecular formula C22H18O2 and molecular weight 314.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,4-triphenylbutane-1,4-dione
Also Known As: 1,2,4-Triphenyl-1,4-butanedione, 1,2,4-triphenylbutane-1,4-dione, Desyl-p-acetophenon, 1,4-Butanedione, 1,2,4-triphenyl-, 1, 1,2,4-triphenyl-
| Molecular Formula | C22H18O2 |
|---|---|
| Molecular Weight | 314.13 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 314.13068 |
| Heavy Atoms | 24 |
| Complexity | 410.0 |
Chemical Identifiers
| CAS Number | 4441-01-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(CC(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3 |
| InChIKey | UDJIUKWJBHQMBG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Butanedione, 1,2,4-triphenyl- (CAS 4441-01-4), with molecular formula C22H18O2 and molecular weight 314.13 g/mol. IUPAC: 1,2,4-triphenylbutane-1,4-dione.
Chemical Property Profile of 1,4-Butanedione, 1,2,4-triphenyl-
Property Insights of 1,4-Butanedione, 1,2,4-triphenyl-
The XLogP value of 4.5 indicates that 1,4-Butanedione, 1,2,4-triphenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.1 Ų, 1,4-Butanedione, 1,2,4-triphenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Butanedione, 1,2,4-triphenyl- 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 1,4-Butanedione, 1,2,4-triphenyl-?
The CAS number of 1,4-Butanedione, 1,2,4-triphenyl- is 4441-01-4.
What is the molecular formula of 1,4-Butanedione, 1,2,4-triphenyl-?
The molecular formula of 1,4-Butanedione, 1,2,4-triphenyl- is C22H18O2.
What is the molecular weight of 1,4-Butanedione, 1,2,4-triphenyl-?
The molecular weight of 1,4-Butanedione, 1,2,4-triphenyl- is 314.13 g/mol.
Where can I buy 1,4-Butanedione, 1,2,4-triphenyl-?
You can request a quote for 1,4-Butanedione, 1,2,4-triphenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Butanedione, 1,2,4-triphenyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Butanedione, 1,2,4-triphenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.