![(3E)-4-[4-(Dimethylamino)phenyl]-2-oxo-3-butenoic acid structure](/static/products/353/35300-46-0.png)
(3E)-4-[4-(Dimethylamino)phenyl]-2-oxo-3-butenoic acid
TL;DR: (3E)-4-[4-(Dimethylamino)phenyl]-2-oxo-3-butenoic acid (CAS 35300-46-0) is a chemical compound with molecular formula C12H13NO3 and molecular weight 219.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-[4-(dimethylamino)phenyl]-2-oxobut-3-enoic acid
Also Known As: (p-Dimethylaminobenzylidene)pyruvic acid, J1.318.093H, (3E)-4-[4-(Dimethylamino)phenyl]-2-oxo-3-butenoic acid, 2-Oxo-4-[4-(dimethylamino)phenyl]-3-butenoic acid, 4-[4-(dimethylamino)phenyl]-2-oxobut-3-enoic acid
| Molecular Formula | C12H13NO3 |
|---|---|
| Molecular Weight | 219.09 g/mol |
| LogP | 1.4195 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 219.08954 |
| Heavy Atoms | 16 |
| Complexity | 418.39493 |
Chemical Identifiers
| CAS Number | 35300-46-0 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)/C=C/C(=O)C(=O)O |
Product Overview
(3E)-4-[4-(Dimethylamino)phenyl]-2-oxo-3-butenoic acid (CAS 35300-46-0), with molecular formula C12H13NO3 and molecular weight 219.09 g/mol. IUPAC: (E)-4-[4-(dimethylamino)phenyl]-2-oxobut-3-enoic acid.
Chemical Property Profile of (3E)-4-[4-(Dimethylamino)phenyl]-2-oxo-3-butenoic acid
Property Insights of (3E)-4-[4-(Dimethylamino)phenyl]-2-oxo-3-butenoic acid
The XLogP value of 1.4195 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3E)-4-[4-(Dimethylamino)phenyl]-2-oxo-3-butenoic acid. With a topological polar surface area (TPSA) of 57.61 Ų, (3E)-4-[4-(Dimethylamino)phenyl]-2-oxo-3-butenoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3E)-4-[4-(Dimethylamino)phenyl]-2-oxo-3-butenoic acid has 1 hydrogen bond donor(s) and 3 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 (3E)-4-[4-(Dimethylamino)phenyl]-2-oxo-3-butenoic acid?
The CAS number of (3E)-4-[4-(Dimethylamino)phenyl]-2-oxo-3-butenoic acid is 35300-46-0.
What is the molecular formula of (3E)-4-[4-(Dimethylamino)phenyl]-2-oxo-3-butenoic acid?
The molecular formula of (3E)-4-[4-(Dimethylamino)phenyl]-2-oxo-3-butenoic acid is C12H13NO3.
What is the molecular weight of (3E)-4-[4-(Dimethylamino)phenyl]-2-oxo-3-butenoic acid?
The molecular weight of (3E)-4-[4-(Dimethylamino)phenyl]-2-oxo-3-butenoic acid is 219.09 g/mol.
Where can I buy (3E)-4-[4-(Dimethylamino)phenyl]-2-oxo-3-butenoic acid?
You can request a quote for (3E)-4-[4-(Dimethylamino)phenyl]-2-oxo-3-butenoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3E)-4-[4-(Dimethylamino)phenyl]-2-oxo-3-butenoic acid?
Yes, KEHONG BIO provides custom synthesis services for (3E)-4-[4-(Dimethylamino)phenyl]-2-oxo-3-butenoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.