(E)-4-((5-benzyl-3-(methoxycarbonyl)-4-methylthiophen-2-yl)amino)-4-oxobut-2-enoic acid
TL;DR: (E)-4-((5-benzyl-3-(methoxycarbonyl)-4-methylthiophen-2-yl)amino)-4-oxobut-2-enoic acid (CAS 1164481-94-0) is a chemical compound with molecular formula C18H17NO5S and molecular weight 359.08273 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(5-benzyl-3-methoxycarbonyl-4-methylthiophen-2-yl)amino]-4-oxobut-2-enoic acid
Also Known As: (E)-4-((5-benzyl-3-(methoxycarbonyl)-4-methylthiophen-2-yl)amino)-4-oxobut-2-enoic acid, (E)-4-{[5-Benzyl-3-(methoxycarbonyl)-4-methyl-2-thienyl]amino}-4-oxo-2-butenoic acid, 4-[(5-benzyl-3-methoxycarbonyl-4-methyl-2-thienyl)amino]-4-oxo-but-2-enoic acid, 4-[(5-benzyl-3-methoxycarbonyl-4-methylthiophen-2-yl)amino]-4-oxobut-2-enoic acid, 4-[[3-methoxycarbonyl-4-methyl-5-(phenylmethyl)-2-thiophenyl]amino]-4-oxo-2-butenoic acid
Technical Specifications
| Molecular Formula | C18H17NO5S |
| Molecular Weight | 359.08273 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 121.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 359.08273 Da |
| Heavy Atoms | 25 |
| Complexity | 530.0 |
| SMILES | CC1=C(SC(=C1C(=O)OC)NC(=O)C=CC(=O)O)CC2=CC=CC=C2 |
| InChIKey | HTYFKYNJJYRMJB-UHFFFAOYSA-N |
Chemical Property Profile of (E)-4-((5-benzyl-3-(methoxycarbonyl)-4-methylthiophen-2-yl)amino)-4-oxobut-2-enoic acid
Property Insights of (E)-4-((5-benzyl-3-(methoxycarbonyl)-4-methylthiophen-2-yl)amino)-4-oxobut-2-enoic acid
The XLogP value of 3.6 indicates that (E)-4-((5-benzyl-3-(methoxycarbonyl)-4-methylthiophen-2-yl)amino)-4-oxobut-2-enoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-((5-benzyl-3-(methoxycarbonyl)-4-methylthiophen-2-yl)amino)-4-oxobut-2-enoic acid. Following Lipinski's Rule of Five, (E)-4-((5-benzyl-3-(methoxycarbonyl)-4-methylthiophen-2-yl)amino)-4-oxobut-2-enoic acid has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (E)-4-((5-benzyl-3-(methoxycarbonyl)-4-methylthiophen-2-yl)amino)-4-oxobut-2-enoic acid?
The CAS number of (E)-4-((5-benzyl-3-(methoxycarbonyl)-4-methylthiophen-2-yl)amino)-4-oxobut-2-enoic acid is 1164481-94-0.
What is the molecular formula of (E)-4-((5-benzyl-3-(methoxycarbonyl)-4-methylthiophen-2-yl)amino)-4-oxobut-2-enoic acid?
The molecular formula of (E)-4-((5-benzyl-3-(methoxycarbonyl)-4-methylthiophen-2-yl)amino)-4-oxobut-2-enoic acid is C18H17NO5S.
What is the molecular weight of (E)-4-((5-benzyl-3-(methoxycarbonyl)-4-methylthiophen-2-yl)amino)-4-oxobut-2-enoic acid?
The molecular weight of (E)-4-((5-benzyl-3-(methoxycarbonyl)-4-methylthiophen-2-yl)amino)-4-oxobut-2-enoic acid is 359.08273 g/mol.
Where can I buy (E)-4-((5-benzyl-3-(methoxycarbonyl)-4-methylthiophen-2-yl)amino)-4-oxobut-2-enoic acid?
You can request a quote for (E)-4-((5-benzyl-3-(methoxycarbonyl)-4-methylthiophen-2-yl)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 (E)-4-((5-benzyl-3-(methoxycarbonyl)-4-methylthiophen-2-yl)amino)-4-oxobut-2-enoic acid?
Yes, CoreyChem provides custom synthesis services for (E)-4-((5-benzyl-3-(methoxycarbonyl)-4-methylthiophen-2-yl)amino)-4-oxobut-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.