![(2E)-1-[2-(benzyloxy)-5-fluorophenyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-en-1-one structure](/static/products/299/299951-08-9.png)
(2E)-1-[2-(benzyloxy)-5-fluorophenyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-en-1-one
TL;DR: (2E)-1-[2-(benzyloxy)-5-fluorophenyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-en-1-one (CAS 299951-08-9) is a chemical compound with molecular formula C25H21FO4 and molecular weight 404.14 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-(5-fluoro-2-phenylmethoxyphenyl)prop-2-en-1-one
Also Known As: (2E)-1-[2-(benzyloxy)-5-fluorophenyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-en-1-one, (E)-1-(2-(benzyloxy)-5-fluorophenyl)-3-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)prop-2-en-1-one, (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(5-fluoro-2-phenylmethoxyphenyl)prop-2-en-1-one
| Molecular Formula | C25H21FO4 |
|---|---|
| Molecular Weight | 404.14 g/mol |
| LogP | 5.4621 |
| Topological Polar Surface Area | 44.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 404.1424 |
| Heavy Atoms | 30 |
| Complexity | 1059.9987 |
Chemical Identifiers
| CAS Number | 299951-08-9 |
|---|---|
| SMILES | C1COC2=C(C=C(C=C2)/C=C/C(=O)C3=C(C=CC(=C3)F)OCC4=CC=CC=C4)OC1 |
Product Overview
(2E)-1-[2-(benzyloxy)-5-fluorophenyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-en-1-one (CAS 299951-08-9), with molecular formula C25H21FO4 and molecular weight 404.14 g/mol. IUPAC: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(5-fluoro-2-phenylmethoxyphenyl)prop-2-en-1-one.
Chemical Property Profile of (2E)-1-[2-(benzyloxy)-5-fluorophenyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-en-1-one
Property Insights of (2E)-1-[2-(benzyloxy)-5-fluorophenyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-en-1-one
The XLogP value of 5.4621 indicates that (2E)-1-[2-(benzyloxy)-5-fluorophenyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)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 44.76 Ų, (2E)-1-[2-(benzyloxy)-5-fluorophenyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-1-[2-(benzyloxy)-5-fluorophenyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-en-1-one has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2E)-1-[2-(benzyloxy)-5-fluorophenyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-en-1-one?
The CAS number of (2E)-1-[2-(benzyloxy)-5-fluorophenyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-en-1-one is 299951-08-9.
What is the molecular formula of (2E)-1-[2-(benzyloxy)-5-fluorophenyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-en-1-one?
The molecular formula of (2E)-1-[2-(benzyloxy)-5-fluorophenyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-en-1-one is C25H21FO4.
What is the molecular weight of (2E)-1-[2-(benzyloxy)-5-fluorophenyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-en-1-one?
The molecular weight of (2E)-1-[2-(benzyloxy)-5-fluorophenyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-en-1-one is 404.14 g/mol.
Where can I buy (2E)-1-[2-(benzyloxy)-5-fluorophenyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-en-1-one?
You can request a quote for (2E)-1-[2-(benzyloxy)-5-fluorophenyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)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)-1-[2-(benzyloxy)-5-fluorophenyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for (2E)-1-[2-(benzyloxy)-5-fluorophenyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.