![(2Z)-4-[benzyl(methyl)amino]-4-oxobut-2-enoic acid structure](/static/products/6424/642437-08-9.webp)
(2Z)-4-[benzyl(methyl)amino]-4-oxobut-2-enoic acid
TL;DR: (2Z)-4-[benzyl(methyl)amino]-4-oxobut-2-enoic acid (CAS 642437-08-9) 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-[benzyl(methyl)amino]-4-oxobut-2-enoic acid
Also Known As: 3-[benzyl(methyl)carbamoyl]prop-2-enoic acid, 4-[benzyl(methyl)amino]-4-oxobut-2-enoic acid, (2Z)-4-[benzyl(methyl)amino]-4-oxobut-2-enoic acid, 3-(benzyl-methyl-carbamoyl)prop-2-enoic Acid
| Molecular Formula | C12H13NO3 |
|---|---|
| Molecular Weight | 219.09 g/mol |
| LogP | 1.2858 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 219.08954 |
| Heavy Atoms | 16 |
| Complexity | 397.9847 |
Chemical Identifiers
| CAS Number | 642437-08-9 |
|---|---|
| SMILES | CN(CC1=CC=CC=C1)C(=O)C=CC(=O)O |
Product Overview
(2Z)-4-[benzyl(methyl)amino]-4-oxobut-2-enoic acid (CAS 642437-08-9), with molecular formula C12H13NO3 and molecular weight 219.09 g/mol. IUPAC: 4-[benzyl(methyl)amino]-4-oxobut-2-enoic acid.
Chemical Property Profile of (2Z)-4-[benzyl(methyl)amino]-4-oxobut-2-enoic acid
Property Insights of (2Z)-4-[benzyl(methyl)amino]-4-oxobut-2-enoic acid
The XLogP value of 1.2858 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2Z)-4-[benzyl(methyl)amino]-4-oxobut-2-enoic acid. With a topological polar surface area (TPSA) of 57.61 Ų, (2Z)-4-[benzyl(methyl)amino]-4-oxobut-2-enoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2Z)-4-[benzyl(methyl)amino]-4-oxobut-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 (2Z)-4-[benzyl(methyl)amino]-4-oxobut-2-enoic acid?
The CAS number of (2Z)-4-[benzyl(methyl)amino]-4-oxobut-2-enoic acid is 642437-08-9.
What is the molecular formula of (2Z)-4-[benzyl(methyl)amino]-4-oxobut-2-enoic acid?
The molecular formula of (2Z)-4-[benzyl(methyl)amino]-4-oxobut-2-enoic acid is C12H13NO3.
What is the molecular weight of (2Z)-4-[benzyl(methyl)amino]-4-oxobut-2-enoic acid?
The molecular weight of (2Z)-4-[benzyl(methyl)amino]-4-oxobut-2-enoic acid is 219.09 g/mol.
Where can I buy (2Z)-4-[benzyl(methyl)amino]-4-oxobut-2-enoic acid?
You can request a quote for (2Z)-4-[benzyl(methyl)amino]-4-oxobut-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 (2Z)-4-[benzyl(methyl)amino]-4-oxobut-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2Z)-4-[benzyl(methyl)amino]-4-oxobut-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.