(2E)-3-(3,4-DIHYDRO-2H-1,5-BENZODIOXEPIN-7-YL)-1-(2-HYDROXY-4-METHYLPHENYL)PROP-2-EN-1-ONE
TL;DR: (2E)-3-(3,4-DIHYDRO-2H-1,5-BENZODIOXEPIN-7-YL)-1-(2-HYDROXY-4-METHYLPHENYL)PROP-2-EN-1-ONE (CAS 149744-48-9) is a chemical compound with molecular formula C19H18O4 and molecular weight 310.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2-hydroxy-4-methylphenyl)prop-2-en-1-one
Also Known As: (2E)-3-(3,4-DIHYDRO-2H-1,5-BENZODIOXEPIN-7-YL)-1-(2-HYDROXY-4-METHYLPHENYL)PROP-2-EN-1-ONE, (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2-hydroxy-4-methylphenyl)prop-2-en-1-one, (E)-3-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-1-(2-hydroxy-4-methylphenyl)prop-2-en-1-one
| Molecular Formula | C19H18O4 |
|---|---|
| Molecular Weight | 310.12 g/mol |
| LogP | 3.75802 |
| Topological Polar Surface Area | 55.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 310.1205 |
| Heavy Atoms | 23 |
| Complexity | 761.9601 |
Chemical Identifiers
| CAS Number | 149744-48-9 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C(=O)/C=C/C2=CC3=C(C=C2)OCCCO3)O |
Product Overview
(2E)-3-(3,4-DIHYDRO-2H-1,5-BENZODIOXEPIN-7-YL)-1-(2-HYDROXY-4-METHYLPHENYL)PROP-2-EN-1-ONE (CAS 149744-48-9), with molecular formula C19H18O4 and molecular weight 310.12 g/mol. IUPAC: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2-hydroxy-4-methylphenyl)prop-2-en-1-one.
Chemical Property Profile of (2E)-3-(3,4-DIHYDRO-2H-1,5-BENZODIOXEPIN-7-YL)-1-(2-HYDROXY-4-METHYLPHENYL)PROP-2-EN-1-ONE
Property Insights of (2E)-3-(3,4-DIHYDRO-2H-1,5-BENZODIOXEPIN-7-YL)-1-(2-HYDROXY-4-METHYLPHENYL)PROP-2-EN-1-ONE
The XLogP value of 3.75802 indicates that (2E)-3-(3,4-DIHYDRO-2H-1,5-BENZODIOXEPIN-7-YL)-1-(2-HYDROXY-4-METHYLPHENYL)PROP-2-EN-1-ONE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.76 Ų, (2E)-3-(3,4-DIHYDRO-2H-1,5-BENZODIOXEPIN-7-YL)-1-(2-HYDROXY-4-METHYLPHENYL)PROP-2-EN-1-ONE exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-3-(3,4-DIHYDRO-2H-1,5-BENZODIOXEPIN-7-YL)-1-(2-HYDROXY-4-METHYLPHENYL)PROP-2-EN-1-ONE has 1 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 (2E)-3-(3,4-DIHYDRO-2H-1,5-BENZODIOXEPIN-7-YL)-1-(2-HYDROXY-4-METHYLPHENYL)PROP-2-EN-1-ONE?
The CAS number of (2E)-3-(3,4-DIHYDRO-2H-1,5-BENZODIOXEPIN-7-YL)-1-(2-HYDROXY-4-METHYLPHENYL)PROP-2-EN-1-ONE is 149744-48-9.
What is the molecular formula of (2E)-3-(3,4-DIHYDRO-2H-1,5-BENZODIOXEPIN-7-YL)-1-(2-HYDROXY-4-METHYLPHENYL)PROP-2-EN-1-ONE?
The molecular formula of (2E)-3-(3,4-DIHYDRO-2H-1,5-BENZODIOXEPIN-7-YL)-1-(2-HYDROXY-4-METHYLPHENYL)PROP-2-EN-1-ONE is C19H18O4.
What is the molecular weight of (2E)-3-(3,4-DIHYDRO-2H-1,5-BENZODIOXEPIN-7-YL)-1-(2-HYDROXY-4-METHYLPHENYL)PROP-2-EN-1-ONE?
The molecular weight of (2E)-3-(3,4-DIHYDRO-2H-1,5-BENZODIOXEPIN-7-YL)-1-(2-HYDROXY-4-METHYLPHENYL)PROP-2-EN-1-ONE is 310.12 g/mol.
Where can I buy (2E)-3-(3,4-DIHYDRO-2H-1,5-BENZODIOXEPIN-7-YL)-1-(2-HYDROXY-4-METHYLPHENYL)PROP-2-EN-1-ONE?
You can request a quote for (2E)-3-(3,4-DIHYDRO-2H-1,5-BENZODIOXEPIN-7-YL)-1-(2-HYDROXY-4-METHYLPHENYL)PROP-2-EN-1-ONE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-3-(3,4-DIHYDRO-2H-1,5-BENZODIOXEPIN-7-YL)-1-(2-HYDROXY-4-METHYLPHENYL)PROP-2-EN-1-ONE?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-(3,4-DIHYDRO-2H-1,5-BENZODIOXEPIN-7-YL)-1-(2-HYDROXY-4-METHYLPHENYL)PROP-2-EN-1-ONE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.