![(2E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-methylphenyl)amino]but-2-en-1-one structure](/static/products/553/5533-86-8.png)
(2E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-methylphenyl)amino]but-2-en-1-one
TL;DR: (2E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-methylphenyl)amino]but-2-en-1-one (CAS 5533-86-8) is a chemical compound with molecular formula C19H19NO3 and molecular weight 309.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methylanilino)but-2-en-1-one
Also Known As: (2E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-methylphenyl)amino]but-2-en-1-one, (E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methylanilino)but-2-en-1-one, (E)-1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-3-(p-tolylamino)but-2-en-1-one
| Molecular Formula | C19H19NO3 |
|---|---|
| Molecular Weight | 309.14 g/mol |
| LogP | 3.96482 |
| Topological Polar Surface Area | 47.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 309.1365 |
| Heavy Atoms | 23 |
| Complexity | 747.7101 |
Chemical Identifiers
| CAS Number | 5533-86-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N/C(=C/C(=O)C2=CC3=C(C=C2)OCCO3)/C |
Product Overview
(2E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-methylphenyl)amino]but-2-en-1-one (CAS 5533-86-8), with molecular formula C19H19NO3 and molecular weight 309.14 g/mol. IUPAC: (E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methylanilino)but-2-en-1-one.
Chemical Property Profile of (2E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-methylphenyl)amino]but-2-en-1-one
Property Insights of (2E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-methylphenyl)amino]but-2-en-1-one
The XLogP value of 3.96482 indicates that (2E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-methylphenyl)amino]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, (2E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-methylphenyl)amino]but-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-methylphenyl)amino]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 (2E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-methylphenyl)amino]but-2-en-1-one?
The CAS number of (2E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-methylphenyl)amino]but-2-en-1-one is 5533-86-8.
What is the molecular formula of (2E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-methylphenyl)amino]but-2-en-1-one?
The molecular formula of (2E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-methylphenyl)amino]but-2-en-1-one is C19H19NO3.
What is the molecular weight of (2E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-methylphenyl)amino]but-2-en-1-one?
The molecular weight of (2E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-methylphenyl)amino]but-2-en-1-one is 309.14 g/mol.
Where can I buy (2E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-methylphenyl)amino]but-2-en-1-one?
You can request a quote for (2E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-methylphenyl)amino]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 (2E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-methylphenyl)amino]but-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for (2E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-methylphenyl)amino]but-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.