(Z)-4-((3,4-dimethoxyphenyl)amino)-3-methyl-4-oxobut-2-enoic acid
TL;DR: (Z)-4-((3,4-dimethoxyphenyl)amino)-3-methyl-4-oxobut-2-enoic acid (CAS 1322242-70-5) is a chemical compound with molecular formula C13H15NO5 and molecular weight 265.09503 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(Z)-4-(3,4-dimethoxyanilino)-3-methyl-4-oxobut-2-enoic acid
Also Known As: F1732-0002, (Z)-3-[(3,4-dimethoxyphenyl)carbamoyl]but-2-enoic Acid, (Z)-4-(3,4-dimethoxyanilino)-3-methyl-4-oxobut-2-enoic acid, (Z)-4-((3,4-dimethoxyphenyl)amino)-3-methyl-4-oxobut-2-enoic acid
Technical Specifications
| Molecular Formula | C13H15NO5 |
| Molecular Weight | 265.09503 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 84.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 265.09503 Da |
| Heavy Atoms | 19 |
| Complexity | 366.0 |
| SMILES | C/C(=C/C(=O)O)/C(=O)NC1=CC(=C(C=C1)OC)OC |
| InChIKey | CWMTVVPBTGNUBC-VURMDHGXSA-N |
Chemical Property Profile of (Z)-4-((3,4-dimethoxyphenyl)amino)-3-methyl-4-oxobut-2-enoic acid
Property Insights of (Z)-4-((3,4-dimethoxyphenyl)amino)-3-methyl-4-oxobut-2-enoic acid
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-4-((3,4-dimethoxyphenyl)amino)-3-methyl-4-oxobut-2-enoic acid. The TPSA of 84.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-4-((3,4-dimethoxyphenyl)amino)-3-methyl-4-oxobut-2-enoic acid. Following Lipinski's Rule of Five, (Z)-4-((3,4-dimethoxyphenyl)amino)-3-methyl-4-oxobut-2-enoic acid has 2 hydrogen bond donor(s) and 5 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)-4-((3,4-dimethoxyphenyl)amino)-3-methyl-4-oxobut-2-enoic acid?
The CAS number of (Z)-4-((3,4-dimethoxyphenyl)amino)-3-methyl-4-oxobut-2-enoic acid is 1322242-70-5.
What is the molecular formula of (Z)-4-((3,4-dimethoxyphenyl)amino)-3-methyl-4-oxobut-2-enoic acid?
The molecular formula of (Z)-4-((3,4-dimethoxyphenyl)amino)-3-methyl-4-oxobut-2-enoic acid is C13H15NO5.
What is the molecular weight of (Z)-4-((3,4-dimethoxyphenyl)amino)-3-methyl-4-oxobut-2-enoic acid?
The molecular weight of (Z)-4-((3,4-dimethoxyphenyl)amino)-3-methyl-4-oxobut-2-enoic acid is 265.09503 g/mol.
Where can I buy (Z)-4-((3,4-dimethoxyphenyl)amino)-3-methyl-4-oxobut-2-enoic acid?
You can request a quote for (Z)-4-((3,4-dimethoxyphenyl)amino)-3-methyl-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)-4-((3,4-dimethoxyphenyl)amino)-3-methyl-4-oxobut-2-enoic acid?
Yes, CoreyChem provides custom synthesis services for (Z)-4-((3,4-dimethoxyphenyl)amino)-3-methyl-4-oxobut-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.