(E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2-hydroxy-4-methoxyphenyl)prop-2-en-1-one
TL;DR: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2-hydroxy-4-methoxyphenyl)prop-2-en-1-one (CAS 149744-53-6) is a chemical compound with molecular formula C19H18O5 and molecular weight 326.11542 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2-hydroxy-4-methoxyphenyl)prop-2-en-1-one
Also Known As: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2-hydroxy-4-methoxyphenyl)prop-2-en-1-one, (E)-3-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-1-(2-hydroxy-4-methoxyphenyl)prop-2-en-1-one
Technical Specifications
| Molecular Formula | C19H18O5 |
| Molecular Weight | 326.11542 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 65.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 326.11542 Da |
| Heavy Atoms | 24 |
| Complexity | 449.0 |
| SMILES | COC1=CC(=C(C=C1)C(=O)/C=C/C2=CC3=C(C=C2)OCCCO3)O |
| InChIKey | DZTVNCZEBJIELH-XVNBXDOJSA-N |
Chemical Property Profile of (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2-hydroxy-4-methoxyphenyl)prop-2-en-1-one
Property Insights of (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2-hydroxy-4-methoxyphenyl)prop-2-en-1-one
The XLogP value of 3.9 indicates that (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2-hydroxy-4-methoxyphenyl)prop-2-en-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2-hydroxy-4-methoxyphenyl)prop-2-en-1-one. Following Lipinski's Rule of Five, (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2-hydroxy-4-methoxyphenyl)prop-2-en-1-one has 1 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)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2-hydroxy-4-methoxyphenyl)prop-2-en-1-one?
The CAS number of (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2-hydroxy-4-methoxyphenyl)prop-2-en-1-one is 149744-53-6.
What is the molecular formula of (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2-hydroxy-4-methoxyphenyl)prop-2-en-1-one?
The molecular formula of (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2-hydroxy-4-methoxyphenyl)prop-2-en-1-one is C19H18O5.
What is the molecular weight of (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2-hydroxy-4-methoxyphenyl)prop-2-en-1-one?
The molecular weight of (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2-hydroxy-4-methoxyphenyl)prop-2-en-1-one is 326.11542 g/mol.
Where can I buy (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2-hydroxy-4-methoxyphenyl)prop-2-en-1-one?
You can request a quote for (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2-hydroxy-4-methoxyphenyl)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)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2-hydroxy-4-methoxyphenyl)prop-2-en-1-one?
Yes, CoreyChem provides custom synthesis services for (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2-hydroxy-4-methoxyphenyl)prop-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.