(2E)-3-(dimethylcarbamoyl)prop-2-enoic acid
TL;DR: (2E)-3-(dimethylcarbamoyl)prop-2-enoic acid (CAS 2564-94-5) is a chemical compound with molecular formula C6H9NO3 and molecular weight 143.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-(dimethylamino)-4-oxobut-2-enoic acid
Also Known As: N,N-dimethylfumaramic acid, (E)-4-(dimethylamino)-4-oxobut-2-enoic acid, 3-(dimethylcarbamoyl)prop-2-enoic Acid, (2E)-3-(dimethylcarbamoyl)prop-2-enoic acid, (2E)-3-(dimethylcarbamoyl)prop-2-enoic acid, E
| Molecular Formula | C6H9NO3 |
|---|---|
| Molecular Weight | 143.06 g/mol |
| LogP | -0.2846 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 143.05824 |
| Heavy Atoms | 10 |
| Complexity | 171.83174 |
Chemical Identifiers
| CAS Number | 2564-94-5 |
|---|---|
| SMILES | CN(C)C(=O)/C=C/C(=O)O |
Product Overview
(2E)-3-(dimethylcarbamoyl)prop-2-enoic acid (CAS 2564-94-5), with molecular formula C6H9NO3 and molecular weight 143.06 g/mol. IUPAC: (E)-4-(dimethylamino)-4-oxobut-2-enoic acid.
Chemical Property Profile of (2E)-3-(dimethylcarbamoyl)prop-2-enoic acid
Property Insights of (2E)-3-(dimethylcarbamoyl)prop-2-enoic acid
The XLogP value of -0.2846 indicates that (2E)-3-(dimethylcarbamoyl)prop-2-enoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 57.61 Ų, (2E)-3-(dimethylcarbamoyl)prop-2-enoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-3-(dimethylcarbamoyl)prop-2-enoic acid 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 (2E)-3-(dimethylcarbamoyl)prop-2-enoic acid?
The CAS number of (2E)-3-(dimethylcarbamoyl)prop-2-enoic acid is 2564-94-5.
What is the molecular formula of (2E)-3-(dimethylcarbamoyl)prop-2-enoic acid?
The molecular formula of (2E)-3-(dimethylcarbamoyl)prop-2-enoic acid is C6H9NO3.
What is the molecular weight of (2E)-3-(dimethylcarbamoyl)prop-2-enoic acid?
The molecular weight of (2E)-3-(dimethylcarbamoyl)prop-2-enoic acid is 143.06 g/mol.
Where can I buy (2E)-3-(dimethylcarbamoyl)prop-2-enoic acid?
You can request a quote for (2E)-3-(dimethylcarbamoyl)prop-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-3-(dimethylcarbamoyl)prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-(dimethylcarbamoyl)prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.