![(E)-4-[[4-(3,4-dimethylphenyl)-3-ethoxycarbonyl-5-methylthiophen-2-yl]amino]-4-oxobut-2-enoic acid structure](/static/products/4449/444908-64-9.webp)
(E)-4-[[4-(3,4-dimethylphenyl)-3-ethoxycarbonyl-5-methylthiophen-2-yl]amino]-4-oxobut-2-enoic acid
TL;DR: (E)-4-[[4-(3,4-dimethylphenyl)-3-ethoxycarbonyl-5-methylthiophen-2-yl]amino]-4-oxobut-2-enoic acid (CAS 444908-64-9) is a chemical compound with molecular formula C20H21NO5S and molecular weight 387.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-[[4-(3,4-dimethylphenyl)-3-ethoxycarbonyl-5-methylthiophen-2-yl]amino]-4-oxobut-2-enoic acid
Also Known As: (E)-4-[[4-(3,4-dimethylphenyl)-3-ethoxycarbonyl-5-methylthiophen-2-yl]amino]-4-oxobut-2-enoic acid, 4-{[4-(3,4-dimethylphenyl)-3-(ethoxycarbonyl)-5-methyl-2-thienyl]amino}-4-oxo-2-butenoic acid, (2E)-4-{[4-(3,4-dimethylphenyl)-3-(ethoxycarbonyl)-5-methylthiophen-2-yl]amino}-4-oxobut-2-enoic acid, (E)-4-{[4-(3,4-DIMETHYLPHENYL)-3-(ETHOXYCARBONYL)-5-METHYL-2-THIENYL]AMINO}-4-OXO-2-BUTENOIC ACID
| Molecular Formula | C20H21NO5S |
|---|---|
| Molecular Weight | 387.11 g/mol |
| LogP | 4.09636 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 387.11404 |
| Heavy Atoms | 27 |
| Complexity | 926.69354 |
Chemical Identifiers
| CAS Number | 444908-64-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C2=CC(=C(C=C2)C)C)C)NC(=O)/C=C/C(=O)O |
Product Overview
(E)-4-[[4-(3,4-dimethylphenyl)-3-ethoxycarbonyl-5-methylthiophen-2-yl]amino]-4-oxobut-2-enoic acid (CAS 444908-64-9), with molecular formula C20H21NO5S and molecular weight 387.11 g/mol. IUPAC: (E)-4-[[4-(3,4-dimethylphenyl)-3-ethoxycarbonyl-5-methylthiophen-2-yl]amino]-4-oxobut-2-enoic acid.
Chemical Property Profile of (E)-4-[[4-(3,4-dimethylphenyl)-3-ethoxycarbonyl-5-methylthiophen-2-yl]amino]-4-oxobut-2-enoic acid
Property Insights of (E)-4-[[4-(3,4-dimethylphenyl)-3-ethoxycarbonyl-5-methylthiophen-2-yl]amino]-4-oxobut-2-enoic acid
The XLogP value of 4.09636 indicates that (E)-4-[[4-(3,4-dimethylphenyl)-3-ethoxycarbonyl-5-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 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-[[4-(3,4-dimethylphenyl)-3-ethoxycarbonyl-5-methylthiophen-2-yl]amino]-4-oxobut-2-enoic acid. Following Lipinski's Rule of Five, (E)-4-[[4-(3,4-dimethylphenyl)-3-ethoxycarbonyl-5-methylthiophen-2-yl]amino]-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
Frequently Asked Questions
What is the CAS number of (E)-4-[[4-(3,4-dimethylphenyl)-3-ethoxycarbonyl-5-methylthiophen-2-yl]amino]-4-oxobut-2-enoic acid?
The CAS number of (E)-4-[[4-(3,4-dimethylphenyl)-3-ethoxycarbonyl-5-methylthiophen-2-yl]amino]-4-oxobut-2-enoic acid is 444908-64-9.
What is the molecular formula of (E)-4-[[4-(3,4-dimethylphenyl)-3-ethoxycarbonyl-5-methylthiophen-2-yl]amino]-4-oxobut-2-enoic acid?
The molecular formula of (E)-4-[[4-(3,4-dimethylphenyl)-3-ethoxycarbonyl-5-methylthiophen-2-yl]amino]-4-oxobut-2-enoic acid is C20H21NO5S.
What is the molecular weight of (E)-4-[[4-(3,4-dimethylphenyl)-3-ethoxycarbonyl-5-methylthiophen-2-yl]amino]-4-oxobut-2-enoic acid?
The molecular weight of (E)-4-[[4-(3,4-dimethylphenyl)-3-ethoxycarbonyl-5-methylthiophen-2-yl]amino]-4-oxobut-2-enoic acid is 387.11 g/mol.
Where can I buy (E)-4-[[4-(3,4-dimethylphenyl)-3-ethoxycarbonyl-5-methylthiophen-2-yl]amino]-4-oxobut-2-enoic acid?
You can request a quote for (E)-4-[[4-(3,4-dimethylphenyl)-3-ethoxycarbonyl-5-methylthiophen-2-yl]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 (E)-4-[[4-(3,4-dimethylphenyl)-3-ethoxycarbonyl-5-methylthiophen-2-yl]amino]-4-oxobut-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-[[4-(3,4-dimethylphenyl)-3-ethoxycarbonyl-5-methylthiophen-2-yl]amino]-4-oxobut-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.