4,4'-Trimethylenbisacetophenone
TL;DR: 4,4'-Trimethylenbisacetophenone (CAS 71873-46-6) is a chemical compound with molecular formula C19H20O2 and molecular weight 280.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-[3-(4-acetylphenyl)propyl]phenyl]ethanone
Also Known As: 4,4'-Trimethylenbisacetophenone, 1-[4-[3-(4-acetylphenyl)propyl]phenyl]ethanone, 1,1'-(propane-1,3-diyldibenzene-4,1-diyl)diethanone, 1-{4-[3-(4-acetylphenyl)propyl]phenyl}ethan-1-one, 1,1'-(Propane-1,3-diylbis(4,1-phenylene))diethanone
| Molecular Formula | C19H20O2 |
|---|---|
| Molecular Weight | 280.15 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 280.14633 |
| Heavy Atoms | 21 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 71873-46-6 |
|---|---|
| SMILES | CC(=O)C1=CC=C(C=C1)CCCC2=CC=C(C=C2)C(=O)C |
| InChIKey | HWOWUKOIBLGVCT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,4'-Trimethylenbisacetophenone (CAS 71873-46-6), with molecular formula C19H20O2 and molecular weight 280.15 g/mol. IUPAC: 1-[4-[3-(4-acetylphenyl)propyl]phenyl]ethanone.
Chemical Property Profile of 4,4'-Trimethylenbisacetophenone
Property Insights of 4,4'-Trimethylenbisacetophenone
The XLogP value of 4.0 indicates that 4,4'-Trimethylenbisacetophenone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.1 Ų, 4,4'-Trimethylenbisacetophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4'-Trimethylenbisacetophenone 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 4,4'-Trimethylenbisacetophenone?
The CAS number of 4,4'-Trimethylenbisacetophenone is 71873-46-6.
What is the molecular formula of 4,4'-Trimethylenbisacetophenone?
The molecular formula of 4,4'-Trimethylenbisacetophenone is C19H20O2.
What is the molecular weight of 4,4'-Trimethylenbisacetophenone?
The molecular weight of 4,4'-Trimethylenbisacetophenone is 280.15 g/mol.
Where can I buy 4,4'-Trimethylenbisacetophenone?
You can request a quote for 4,4'-Trimethylenbisacetophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4'-Trimethylenbisacetophenone?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-Trimethylenbisacetophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.