2-Propen-1-one, 3-(1,3-benzodiol-5-yl)-1-(4-methylphenyl)-
TL;DR: 2-Propen-1-one, 3-(1,3-benzodiol-5-yl)-1-(4-methylphenyl)- (CAS 1446353-73-6) is a chemical compound with molecular formula C17H14O3 and molecular weight 266.0943 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-3-(1,3-benzodioxol-5-yl)-1-(4-methylphenyl)prop-2-en-1-one
Also Known As: Chalcone, 4'-methyl-3,4-(methylenedioxy)-, AI3-03763, 0-19-00-00142 (Beilstein Handbook Reference), BIM-0040196.P001, 3-(1,3-Benzodiol-5-yl)-1-(4-methylphenyl)-2-propen-1-one
Technical Specifications
| Molecular Formula | C17H14O3 |
| Molecular Weight | 266.0943 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 266.0943 Da |
| Heavy Atoms | 20 |
| Complexity | 368.0 |
| SMILES | CC1=CC=C(C=C1)C(=O)/C=C/C2=CC3=C(C=C2)OCO3 |
| InChIKey | JWGMSRAHCNKMBC-XBXARRHUSA-N |
Chemical Property Profile of 2-Propen-1-one, 3-(1,3-benzodiol-5-yl)-1-(4-methylphenyl)-
Property Insights of 2-Propen-1-one, 3-(1,3-benzodiol-5-yl)-1-(4-methylphenyl)-
The XLogP value of 4.2 indicates that 2-Propen-1-one, 3-(1,3-benzodiol-5-yl)-1-(4-methylphenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 2-Propen-1-one, 3-(1,3-benzodiol-5-yl)-1-(4-methylphenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propen-1-one, 3-(1,3-benzodiol-5-yl)-1-(4-methylphenyl)- 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
What is the CAS number of 2-Propen-1-one, 3-(1,3-benzodiol-5-yl)-1-(4-methylphenyl)-?
The CAS number of 2-Propen-1-one, 3-(1,3-benzodiol-5-yl)-1-(4-methylphenyl)- is 1446353-73-6.
What is the molecular formula of 2-Propen-1-one, 3-(1,3-benzodiol-5-yl)-1-(4-methylphenyl)-?
The molecular formula of 2-Propen-1-one, 3-(1,3-benzodiol-5-yl)-1-(4-methylphenyl)- is C17H14O3.
What is the molecular weight of 2-Propen-1-one, 3-(1,3-benzodiol-5-yl)-1-(4-methylphenyl)-?
The molecular weight of 2-Propen-1-one, 3-(1,3-benzodiol-5-yl)-1-(4-methylphenyl)- is 266.0943 g/mol.
Where can I buy 2-Propen-1-one, 3-(1,3-benzodiol-5-yl)-1-(4-methylphenyl)-?
You can request a quote for 2-Propen-1-one, 3-(1,3-benzodiol-5-yl)-1-(4-methylphenyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Propen-1-one, 3-(1,3-benzodiol-5-yl)-1-(4-methylphenyl)-?
Yes, CoreyChem provides custom synthesis services for 2-Propen-1-one, 3-(1,3-benzodiol-5-yl)-1-(4-methylphenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.