![3-Butenoic acid, 4-[4-(dimethylamino)phenyl]-2-oxo- structure](/static/products/844/84425-65-0.png)
3-Butenoic acid, 4-[4-(dimethylamino)phenyl]-2-oxo-
TL;DR: 3-Butenoic acid, 4-[4-(dimethylamino)phenyl]-2-oxo- (CAS 84425-65-0) 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.
4-[4-(dimethylamino)phenyl]-2-oxobut-3-enoic acid
Also Known As: 3-Butenoic acid, 4-[4-(dimethylamino)phenyl]-2-oxo-, 4-[4-(dimethylamino)phenyl]-2-oxobut-3-enoic acid
| Molecular Formula | C12H13NO3 |
|---|---|
| Molecular Weight | 219.09 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 57.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 219.08954 |
| Heavy Atoms | 16 |
| Complexity | 289.0 |
Chemical Identifiers
| CAS Number | 84425-65-0 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)C=CC(=O)C(=O)O |
| InChIKey | QUICAZQXJVKDSD-UHFFFAOYSA-N |
Product Overview
3-Butenoic acid, 4-[4-(dimethylamino)phenyl]-2-oxo- (CAS 84425-65-0), with molecular formula C12H13NO3 and molecular weight 219.09 g/mol. IUPAC: 4-[4-(dimethylamino)phenyl]-2-oxobut-3-enoic acid.
Chemical Property Profile of 3-Butenoic acid, 4-[4-(dimethylamino)phenyl]-2-oxo-
Property Insights of 3-Butenoic acid, 4-[4-(dimethylamino)phenyl]-2-oxo-
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Butenoic acid, 4-[4-(dimethylamino)phenyl]-2-oxo-. With a topological polar surface area (TPSA) of 57.6 Ų, 3-Butenoic acid, 4-[4-(dimethylamino)phenyl]-2-oxo- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Butenoic acid, 4-[4-(dimethylamino)phenyl]-2-oxo- 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 3-Butenoic acid, 4-[4-(dimethylamino)phenyl]-2-oxo-?
The CAS number of 3-Butenoic acid, 4-[4-(dimethylamino)phenyl]-2-oxo- is 84425-65-0.
What is the molecular formula of 3-Butenoic acid, 4-[4-(dimethylamino)phenyl]-2-oxo-?
The molecular formula of 3-Butenoic acid, 4-[4-(dimethylamino)phenyl]-2-oxo- is C12H13NO3.
What is the molecular weight of 3-Butenoic acid, 4-[4-(dimethylamino)phenyl]-2-oxo-?
The molecular weight of 3-Butenoic acid, 4-[4-(dimethylamino)phenyl]-2-oxo- is 219.09 g/mol.
Where can I buy 3-Butenoic acid, 4-[4-(dimethylamino)phenyl]-2-oxo-?
You can request a quote for 3-Butenoic acid, 4-[4-(dimethylamino)phenyl]-2-oxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Butenoic acid, 4-[4-(dimethylamino)phenyl]-2-oxo-?
Yes, KEHONG BIO provides custom synthesis services for 3-Butenoic acid, 4-[4-(dimethylamino)phenyl]-2-oxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.