(Z)-3-methyl-4-((4-methylbenzyl)amino)-4-oxobut-2-enoic acid
TL;DR: (Z)-3-methyl-4-((4-methylbenzyl)amino)-4-oxobut-2-enoic acid (CAS 1321941-44-9) is a chemical compound with molecular formula C13H15NO3 and molecular weight 233.1052 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(Z)-3-methyl-4-[(4-methylphenyl)methylamino]-4-oxobut-2-enoic acid
Also Known As: (Z)-3-methyl-4-((4-methylbenzyl)amino)-4-oxobut-2-enoic acid, F1732-0248, (Z)-3-{[(p-tolyl)methyl]carbamoyl}-2-butenoic acid, (Z)-3-methyl-4-[(4-methylphenyl)methylamino]-4-oxobut-2-enoic acid, (2Z)-3-methyl-3-{[(4-methylphenyl)methyl]carbamoyl}prop-2-enoic acid
Technical Specifications
| Molecular Formula | C13H15NO3 |
| Molecular Weight | 233.1052 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 233.1052 Da |
| Heavy Atoms | 17 |
| Complexity | 315.0 |
| SMILES | CC1=CC=C(C=C1)CNC(=O)/C(=C\C(=O)O)/C |
| InChIKey | UZMQMLGYXXYAJR-YFHOEESVSA-N |
Chemical Property Profile of (Z)-3-methyl-4-((4-methylbenzyl)amino)-4-oxobut-2-enoic acid
Property Insights of (Z)-3-methyl-4-((4-methylbenzyl)amino)-4-oxobut-2-enoic acid
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-3-methyl-4-((4-methylbenzyl)amino)-4-oxobut-2-enoic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-3-methyl-4-((4-methylbenzyl)amino)-4-oxobut-2-enoic acid. Following Lipinski's Rule of Five, (Z)-3-methyl-4-((4-methylbenzyl)amino)-4-oxobut-2-enoic acid has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (Z)-3-methyl-4-((4-methylbenzyl)amino)-4-oxobut-2-enoic acid?
The CAS number of (Z)-3-methyl-4-((4-methylbenzyl)amino)-4-oxobut-2-enoic acid is 1321941-44-9.
What is the molecular formula of (Z)-3-methyl-4-((4-methylbenzyl)amino)-4-oxobut-2-enoic acid?
The molecular formula of (Z)-3-methyl-4-((4-methylbenzyl)amino)-4-oxobut-2-enoic acid is C13H15NO3.
What is the molecular weight of (Z)-3-methyl-4-((4-methylbenzyl)amino)-4-oxobut-2-enoic acid?
The molecular weight of (Z)-3-methyl-4-((4-methylbenzyl)amino)-4-oxobut-2-enoic acid is 233.1052 g/mol.
Where can I buy (Z)-3-methyl-4-((4-methylbenzyl)amino)-4-oxobut-2-enoic acid?
You can request a quote for (Z)-3-methyl-4-((4-methylbenzyl)amino)-4-oxobut-2-enoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (Z)-3-methyl-4-((4-methylbenzyl)amino)-4-oxobut-2-enoic acid?
Yes, CoreyChem provides custom synthesis services for (Z)-3-methyl-4-((4-methylbenzyl)amino)-4-oxobut-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.