![3-Buten-2-one,4-[4-(dimethylamino)phenyl]-, (3E)- structure](/static/products/5432/5432-53-1.webp)
3-Buten-2-one,4-[4-(dimethylamino)phenyl]-, (3E)-
TL;DR: 3-Buten-2-one,4-[4-(dimethylamino)phenyl]-, (3E)- (CAS 5432-53-1) is a chemical compound with molecular formula C12H15NO and molecular weight 189.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-(dimethylamino)phenyl]but-3-en-2-one
Also Known As: DMAPB, 4-(4-(Dimethylamino)phenyl)but-3-en-2-one, 4-[4-(dimethylamino)phenyl]but-3-en-2-one, 4-(4-(Dimethylamino)phenyl)buten-2-one, 4-(4-dimethylaminophenyl)but-3-en-2-one
| Molecular Formula | C12H15NO |
|---|---|
| Molecular Weight | 189.12 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 189.11537 |
| Heavy Atoms | 14 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 5432-53-1 |
|---|---|
| SMILES | CC(=O)C=CC1=CC=C(C=C1)N(C)C |
| InChIKey | IAMOQOMGCKCSEJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Buten-2-one,4-[4-(dimethylamino)phenyl]-, (3E)- (CAS 5432-53-1), with molecular formula C12H15NO and molecular weight 189.12 g/mol. IUPAC: 4-[4-(dimethylamino)phenyl]but-3-en-2-one.
Chemical Property Profile of 3-Buten-2-one,4-[4-(dimethylamino)phenyl]-, (3E)-
Property Insights of 3-Buten-2-one,4-[4-(dimethylamino)phenyl]-, (3E)-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Buten-2-one,4-[4-(dimethylamino)phenyl]-, (3E)-. With a topological polar surface area (TPSA) of 20.3 Ų, 3-Buten-2-one,4-[4-(dimethylamino)phenyl]-, (3E)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Buten-2-one,4-[4-(dimethylamino)phenyl]-, (3E)- has 0 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-Buten-2-one,4-[4-(dimethylamino)phenyl]-, (3E)-?
The CAS number of 3-Buten-2-one,4-[4-(dimethylamino)phenyl]-, (3E)- is 5432-53-1.
What is the molecular formula of 3-Buten-2-one,4-[4-(dimethylamino)phenyl]-, (3E)-?
The molecular formula of 3-Buten-2-one,4-[4-(dimethylamino)phenyl]-, (3E)- is C12H15NO.
What is the molecular weight of 3-Buten-2-one,4-[4-(dimethylamino)phenyl]-, (3E)-?
The molecular weight of 3-Buten-2-one,4-[4-(dimethylamino)phenyl]-, (3E)- is 189.12 g/mol.
Where can I buy 3-Buten-2-one,4-[4-(dimethylamino)phenyl]-, (3E)-?
You can request a quote for 3-Buten-2-one,4-[4-(dimethylamino)phenyl]-, (3E)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Buten-2-one,4-[4-(dimethylamino)phenyl]-, (3E)-?
Yes, KEHONG BIO provides custom synthesis services for 3-Buten-2-one,4-[4-(dimethylamino)phenyl]-, (3E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.