(E)-4-((3-cyano-4-(4-isopropylphenyl)-5-methylthiophen-2-yl)amino)-4-oxobut-2-enoic acid
TL;DR: (E)-4-((3-cyano-4-(4-isopropylphenyl)-5-methylthiophen-2-yl)amino)-4-oxobut-2-enoic acid (CAS 519016-39-8) is a chemical compound with molecular formula C19H18N2O3S and molecular weight 354.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-[[3-cyano-5-methyl-4-(4-propan-2-ylphenyl)thiophen-2-yl]amino]-4-oxobut-2-enoic acid
Also Known As: (E)-4-((3-cyano-4-(4-isopropylphenyl)-5-methylthiophen-2-yl)amino)-4-oxobut-2-enoic acid, 3-[[3-cyano-5-methyl-4-(4-propan-2-ylphenyl)thiophen-2-yl]carbamoyl]prop-2-enoic Acid, (2E)-3-(N-{3-cyano-5-methyl-4-[4-(methylethyl)phenyl](2-thienyl)}carbamoyl)pro p-2-enoic acid, (2E)-4-({3-cyano-5-methyl-4-[4-(propan-2-yl)phenyl]thiophen-2-yl}amino)-4-oxobut-2-enoic acid, (E)-4-[[3-cyano-5-methyl-4-(4-propan-2-ylphenyl)thiophen-2-yl]amino]-4-oxobut-2-enoic acid
| Molecular Formula | C19H18N2O3S |
|---|---|
| Molecular Weight | 354.10 g/mol |
| LogP | 4.2979 |
| Topological Polar Surface Area | 90.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 354.10382 |
| Heavy Atoms | 25 |
| Complexity | 871.3096 |
Chemical Identifiers
| CAS Number | 519016-39-8 |
|---|---|
| SMILES | CC1=C(C(=C(S1)NC(=O)/C=C/C(=O)O)C#N)C2=CC=C(C=C2)C(C)C |
Product Overview
(E)-4-((3-cyano-4-(4-isopropylphenyl)-5-methylthiophen-2-yl)amino)-4-oxobut-2-enoic acid (CAS 519016-39-8), with molecular formula C19H18N2O3S and molecular weight 354.10 g/mol. IUPAC: (E)-4-[[3-cyano-5-methyl-4-(4-propan-2-ylphenyl)thiophen-2-yl]amino]-4-oxobut-2-enoic acid.
Chemical Property Profile of (E)-4-((3-cyano-4-(4-isopropylphenyl)-5-methylthiophen-2-yl)amino)-4-oxobut-2-enoic acid
Property Insights of (E)-4-((3-cyano-4-(4-isopropylphenyl)-5-methylthiophen-2-yl)amino)-4-oxobut-2-enoic acid
The XLogP value of 4.2979 indicates that (E)-4-((3-cyano-4-(4-isopropylphenyl)-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 90.19 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-((3-cyano-4-(4-isopropylphenyl)-5-methylthiophen-2-yl)amino)-4-oxobut-2-enoic acid. Following Lipinski's Rule of Five, (E)-4-((3-cyano-4-(4-isopropylphenyl)-5-methylthiophen-2-yl)amino)-4-oxobut-2-enoic acid has 2 hydrogen bond donor(s) and 4 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-((3-cyano-4-(4-isopropylphenyl)-5-methylthiophen-2-yl)amino)-4-oxobut-2-enoic acid?
The CAS number of (E)-4-((3-cyano-4-(4-isopropylphenyl)-5-methylthiophen-2-yl)amino)-4-oxobut-2-enoic acid is 519016-39-8.
What is the molecular formula of (E)-4-((3-cyano-4-(4-isopropylphenyl)-5-methylthiophen-2-yl)amino)-4-oxobut-2-enoic acid?
The molecular formula of (E)-4-((3-cyano-4-(4-isopropylphenyl)-5-methylthiophen-2-yl)amino)-4-oxobut-2-enoic acid is C19H18N2O3S.
What is the molecular weight of (E)-4-((3-cyano-4-(4-isopropylphenyl)-5-methylthiophen-2-yl)amino)-4-oxobut-2-enoic acid?
The molecular weight of (E)-4-((3-cyano-4-(4-isopropylphenyl)-5-methylthiophen-2-yl)amino)-4-oxobut-2-enoic acid is 354.10 g/mol.
Where can I buy (E)-4-((3-cyano-4-(4-isopropylphenyl)-5-methylthiophen-2-yl)amino)-4-oxobut-2-enoic acid?
You can request a quote for (E)-4-((3-cyano-4-(4-isopropylphenyl)-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-((3-cyano-4-(4-isopropylphenyl)-5-methylthiophen-2-yl)amino)-4-oxobut-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-((3-cyano-4-(4-isopropylphenyl)-5-methylthiophen-2-yl)amino)-4-oxobut-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.