3-(3,4-Dimethylanilino)-1-phenyl-2-buten-1-one
TL;DR: 3-(3,4-Dimethylanilino)-1-phenyl-2-buten-1-one (CAS 845290-17-7) is a chemical compound with molecular formula C18H19NO and molecular weight 265.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(3,4-dimethylanilino)-1-phenylbut-2-en-1-one
Also Known As: 3-(3,4-dimethylanilino)-1-phenyl-2-buten-1-one, (E)-3-(3,4-dimethylanilino)-1-phenylbut-2-en-1-one
| Molecular Formula | C18H19NO |
|---|---|
| Molecular Weight | 265.15 g/mol |
| LogP | 4.50204 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 265.14667 |
| Heavy Atoms | 20 |
| Complexity | 641.7227 |
Chemical Identifiers
| CAS Number | 845290-17-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N/C(=C/C(=O)C2=CC=CC=C2)/C)C |
Product Overview
3-(3,4-Dimethylanilino)-1-phenyl-2-buten-1-one (CAS 845290-17-7), with molecular formula C18H19NO and molecular weight 265.15 g/mol. IUPAC: (E)-3-(3,4-dimethylanilino)-1-phenylbut-2-en-1-one.
Chemical Property Profile of 3-(3,4-Dimethylanilino)-1-phenyl-2-buten-1-one
Property Insights of 3-(3,4-Dimethylanilino)-1-phenyl-2-buten-1-one
The XLogP value of 4.50204 indicates that 3-(3,4-Dimethylanilino)-1-phenyl-2-buten-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, 3-(3,4-Dimethylanilino)-1-phenyl-2-buten-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3,4-Dimethylanilino)-1-phenyl-2-buten-1-one has 1 hydrogen bond donor(s) and 2 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 3-(3,4-Dimethylanilino)-1-phenyl-2-buten-1-one?
The CAS number of 3-(3,4-Dimethylanilino)-1-phenyl-2-buten-1-one is 845290-17-7.
What is the molecular formula of 3-(3,4-Dimethylanilino)-1-phenyl-2-buten-1-one?
The molecular formula of 3-(3,4-Dimethylanilino)-1-phenyl-2-buten-1-one is C18H19NO.
What is the molecular weight of 3-(3,4-Dimethylanilino)-1-phenyl-2-buten-1-one?
The molecular weight of 3-(3,4-Dimethylanilino)-1-phenyl-2-buten-1-one is 265.15 g/mol.
Where can I buy 3-(3,4-Dimethylanilino)-1-phenyl-2-buten-1-one?
You can request a quote for 3-(3,4-Dimethylanilino)-1-phenyl-2-buten-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3,4-Dimethylanilino)-1-phenyl-2-buten-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,4-Dimethylanilino)-1-phenyl-2-buten-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.