![3-[[4-(2-Acetyl-3-oxobutyl)phenyl]methyl]pentane-2,4-dione structure](/static/products/4129/41296-64-4.webp)
3-[[4-(2-Acetyl-3-oxobutyl)phenyl]methyl]pentane-2,4-dione
TL;DR: 3-[[4-(2-Acetyl-3-oxobutyl)phenyl]methyl]pentane-2,4-dione (CAS 41296-64-4) is a chemical compound with molecular formula C18H22O4 and molecular weight 302.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[4-(2-acetyl-3-oxobutyl)phenyl]methyl]pentane-2,4-dione
Also Known As: 1,4-Bis-(2,2-diacetyl-ethyl)-benzol, 3-[[4-(2-acetyl-3-oxo-butyl)phenyl]methyl]pentane-2,4-dione, 3-[[4-(2-acetyl-3-oxobutyl)phenyl]methyl]pentane-2,4-dione, 3,3'-(benzene-1,4-diyldimethanediyl)dipentane-2,4-dione, 3,3'-[1,4-Phenylenebis(methylene)]di(pentane-2,4-dione)
| Molecular Formula | C18H22O4 |
|---|---|
| Molecular Weight | 302.15 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 68.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 302.1518 |
| Heavy Atoms | 22 |
| Complexity | 374.0 |
Chemical Identifiers
| CAS Number | 41296-64-4 |
|---|---|
| SMILES | CC(=O)C(CC1=CC=C(C=C1)CC(C(=O)C)C(=O)C)C(=O)C |
| InChIKey | WFKBWPJGMKVMJA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-[[4-(2-Acetyl-3-oxobutyl)phenyl]methyl]pentane-2,4-dione (CAS 41296-64-4), with molecular formula C18H22O4 and molecular weight 302.15 g/mol. IUPAC: 3-[[4-(2-acetyl-3-oxobutyl)phenyl]methyl]pentane-2,4-dione.
Chemical Property Profile of 3-[[4-(2-Acetyl-3-oxobutyl)phenyl]methyl]pentane-2,4-dione
Property Insights of 3-[[4-(2-Acetyl-3-oxobutyl)phenyl]methyl]pentane-2,4-dione
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[[4-(2-Acetyl-3-oxobutyl)phenyl]methyl]pentane-2,4-dione. The TPSA of 68.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[[4-(2-Acetyl-3-oxobutyl)phenyl]methyl]pentane-2,4-dione. Following Lipinski's Rule of Five, 3-[[4-(2-Acetyl-3-oxobutyl)phenyl]methyl]pentane-2,4-dione has 0 hydrogen bond donor(s) and 4 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 3-[[4-(2-Acetyl-3-oxobutyl)phenyl]methyl]pentane-2,4-dione?
The CAS number of 3-[[4-(2-Acetyl-3-oxobutyl)phenyl]methyl]pentane-2,4-dione is 41296-64-4.
What is the molecular formula of 3-[[4-(2-Acetyl-3-oxobutyl)phenyl]methyl]pentane-2,4-dione?
The molecular formula of 3-[[4-(2-Acetyl-3-oxobutyl)phenyl]methyl]pentane-2,4-dione is C18H22O4.
What is the molecular weight of 3-[[4-(2-Acetyl-3-oxobutyl)phenyl]methyl]pentane-2,4-dione?
The molecular weight of 3-[[4-(2-Acetyl-3-oxobutyl)phenyl]methyl]pentane-2,4-dione is 302.15 g/mol.
Where can I buy 3-[[4-(2-Acetyl-3-oxobutyl)phenyl]methyl]pentane-2,4-dione?
You can request a quote for 3-[[4-(2-Acetyl-3-oxobutyl)phenyl]methyl]pentane-2,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[[4-(2-Acetyl-3-oxobutyl)phenyl]methyl]pentane-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-[[4-(2-Acetyl-3-oxobutyl)phenyl]methyl]pentane-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.