![(E)-1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-3-(phenylamino)but-2-en-1-one structure](/static/products/553/5533-85-7.png)
(E)-1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-3-(phenylamino)but-2-en-1-one
TL;DR: (E)-1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-3-(phenylamino)but-2-en-1-one (CAS 5533-85-7) is a chemical compound with molecular formula C18H17NO3 and molecular weight 295.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-anilino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)but-2-en-1-one
Also Known As: (E)-3-anilino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)but-2-en-1-one, (E)-1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-3-(phenylamino)but-2-en-1-one
| Molecular Formula | C18H17NO3 |
|---|---|
| Molecular Weight | 295.12 g/mol |
| LogP | 3.6564 |
| Topological Polar Surface Area | 47.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 295.12085 |
| Heavy Atoms | 22 |
| Complexity | 707.52716 |
Chemical Identifiers
| CAS Number | 5533-85-7 |
|---|---|
| SMILES | C/C(=C\C(=O)C1=CC2=C(C=C1)OCCO2)/NC3=CC=CC=C3 |
Product Overview
(E)-1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-3-(phenylamino)but-2-en-1-one (CAS 5533-85-7), with molecular formula C18H17NO3 and molecular weight 295.12 g/mol. IUPAC: (E)-3-anilino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)but-2-en-1-one.
Chemical Property Profile of (E)-1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-3-(phenylamino)but-2-en-1-one
Property Insights of (E)-1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-3-(phenylamino)but-2-en-1-one
The XLogP value of 3.6564 indicates that (E)-1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-3-(phenylamino)but-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 47.56 Ų, (E)-1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-3-(phenylamino)but-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-3-(phenylamino)but-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 (E)-1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-3-(phenylamino)but-2-en-1-one?
The CAS number of (E)-1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-3-(phenylamino)but-2-en-1-one is 5533-85-7.
What is the molecular formula of (E)-1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-3-(phenylamino)but-2-en-1-one?
The molecular formula of (E)-1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-3-(phenylamino)but-2-en-1-one is C18H17NO3.
What is the molecular weight of (E)-1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-3-(phenylamino)but-2-en-1-one?
The molecular weight of (E)-1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-3-(phenylamino)but-2-en-1-one is 295.12 g/mol.
Where can I buy (E)-1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-3-(phenylamino)but-2-en-1-one?
You can request a quote for (E)-1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-3-(phenylamino)but-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 (E)-1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-3-(phenylamino)but-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-3-(phenylamino)but-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.