2-Butenoic acid, 4-(4-(dimethylamino)phenyl)-4-oxo-, (E)-
TL;DR: 2-Butenoic acid, 4-(4-(dimethylamino)phenyl)-4-oxo-, (E)- (CAS 86867-14-3) 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]-4-oxobut-2-enoic acid
Also Known As: (E)-4-(4-(Dimethylamino)phenyl)-4-oxo-2-butenoic acid, 2-Butenoic acid, 4-(4-(dimethylamino)phenyl)-4-oxo-, (E)-, (E)-4-(4-N,N-Dimethylaminophenyl)-4-oxobuten-2-oic acid, (E)-4-(4-dimethylaminophenyl)-4-oxobut-2-enoic acid, (E)-4-(4-(Dimethylamino)phenyl)-4-oxobut-2-enoic acid
| Molecular Formula | C12H13NO3 |
|---|---|
| Molecular Weight | 219.09 g/mol |
| LogP | 1.5761 |
| 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 | 86867-14-3 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)C(=O)/C=C/C(=O)O |
Product Overview
2-Butenoic acid, 4-(4-(dimethylamino)phenyl)-4-oxo-, (E)- (CAS 86867-14-3), with molecular formula C12H13NO3 and molecular weight 219.09 g/mol. IUPAC: (E)-4-[4-(dimethylamino)phenyl]-4-oxobut-2-enoic acid.
Chemical Property Profile of 2-Butenoic acid, 4-(4-(dimethylamino)phenyl)-4-oxo-, (E)-
Property Insights of 2-Butenoic acid, 4-(4-(dimethylamino)phenyl)-4-oxo-, (E)-
The XLogP value of 1.5761 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butenoic acid, 4-(4-(dimethylamino)phenyl)-4-oxo-, (E)-. With a topological polar surface area (TPSA) of 57.61 Ų, 2-Butenoic acid, 4-(4-(dimethylamino)phenyl)-4-oxo-, (E)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butenoic acid, 4-(4-(dimethylamino)phenyl)-4-oxo-, (E)- 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 2-Butenoic acid, 4-(4-(dimethylamino)phenyl)-4-oxo-, (E)-?
The CAS number of 2-Butenoic acid, 4-(4-(dimethylamino)phenyl)-4-oxo-, (E)- is 86867-14-3.
What is the molecular formula of 2-Butenoic acid, 4-(4-(dimethylamino)phenyl)-4-oxo-, (E)-?
The molecular formula of 2-Butenoic acid, 4-(4-(dimethylamino)phenyl)-4-oxo-, (E)- is C12H13NO3.
What is the molecular weight of 2-Butenoic acid, 4-(4-(dimethylamino)phenyl)-4-oxo-, (E)-?
The molecular weight of 2-Butenoic acid, 4-(4-(dimethylamino)phenyl)-4-oxo-, (E)- is 219.09 g/mol.
Where can I buy 2-Butenoic acid, 4-(4-(dimethylamino)phenyl)-4-oxo-, (E)-?
You can request a quote for 2-Butenoic acid, 4-(4-(dimethylamino)phenyl)-4-oxo-, (E)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butenoic acid, 4-(4-(dimethylamino)phenyl)-4-oxo-, (E)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Butenoic acid, 4-(4-(dimethylamino)phenyl)-4-oxo-, (E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.