(E)-1-(1,3-benzodioxol-5-yl)-3-(3-nitrophenyl)prop-2-en-1-one
TL;DR: (E)-1-(1,3-benzodioxol-5-yl)-3-(3-nitrophenyl)prop-2-en-1-one (CAS 1252015-02-3) is a chemical compound with molecular formula C16H11NO5 and molecular weight 297.06372 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-1-(1,3-benzodioxol-5-yl)-3-(3-nitrophenyl)prop-2-en-1-one
Also Known As: AB00760119-01, (2E)-1-(1,3-benzodioxol-5-yl)-3-(3-nitrophenyl)prop-2-en-1-one, (E)-1-(1,3-benzodioxol-5-yl)-3-(3-nitrophenyl)prop-2-en-1-one, (2E)-1-(1,3-benzodioxol-5-yl)-3-(3-nitrophenyl)-2-propen-1-one, (E)-1-(1,3-BENZODIOXOL-5-YL)-3-(3-NITROPHENYL)-2-PROPEN-1-ONE
Technical Specifications
| Molecular Formula | C16H11NO5 |
| Molecular Weight | 297.06372 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 81.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 297.06372 Da |
| Heavy Atoms | 22 |
| Complexity | 458.0 |
| SMILES | C1OC2=C(O1)C=C(C=C2)C(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-] |
| InChIKey | DXIFNBLJXZHOGP-GQCTYLIASA-N |
Chemical Property Profile of (E)-1-(1,3-benzodioxol-5-yl)-3-(3-nitrophenyl)prop-2-en-1-one
Property Insights of (E)-1-(1,3-benzodioxol-5-yl)-3-(3-nitrophenyl)prop-2-en-1-one
The XLogP value of 3.3 indicates that (E)-1-(1,3-benzodioxol-5-yl)-3-(3-nitrophenyl)prop-2-en-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-1-(1,3-benzodioxol-5-yl)-3-(3-nitrophenyl)prop-2-en-1-one. Following Lipinski's Rule of Five, (E)-1-(1,3-benzodioxol-5-yl)-3-(3-nitrophenyl)prop-2-en-1-one has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (E)-1-(1,3-benzodioxol-5-yl)-3-(3-nitrophenyl)prop-2-en-1-one?
The CAS number of (E)-1-(1,3-benzodioxol-5-yl)-3-(3-nitrophenyl)prop-2-en-1-one is 1252015-02-3.
What is the molecular formula of (E)-1-(1,3-benzodioxol-5-yl)-3-(3-nitrophenyl)prop-2-en-1-one?
The molecular formula of (E)-1-(1,3-benzodioxol-5-yl)-3-(3-nitrophenyl)prop-2-en-1-one is C16H11NO5.
What is the molecular weight of (E)-1-(1,3-benzodioxol-5-yl)-3-(3-nitrophenyl)prop-2-en-1-one?
The molecular weight of (E)-1-(1,3-benzodioxol-5-yl)-3-(3-nitrophenyl)prop-2-en-1-one is 297.06372 g/mol.
Where can I buy (E)-1-(1,3-benzodioxol-5-yl)-3-(3-nitrophenyl)prop-2-en-1-one?
You can request a quote for (E)-1-(1,3-benzodioxol-5-yl)-3-(3-nitrophenyl)prop-2-en-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (E)-1-(1,3-benzodioxol-5-yl)-3-(3-nitrophenyl)prop-2-en-1-one?
Yes, CoreyChem provides custom synthesis services for (E)-1-(1,3-benzodioxol-5-yl)-3-(3-nitrophenyl)prop-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.