![3-thiophenecarboxylic acid, 2-[[(2E)-3-carboxy-1-oxo-2-propenyl]amino]-5-methyl-4-[4-(2-methylpropyl)phenyl]-, 3-ethyl ester structure](/static/products/519/519016-41-2.png)
3-thiophenecarboxylic acid, 2-[[(2E)-3-carboxy-1-oxo-2-propenyl]amino]-5-methyl-4-[4-(2-methylpropyl)phenyl]-, 3-ethyl ester
TL;DR: 3-thiophenecarboxylic acid, 2-[[(2E)-3-carboxy-1-oxo-2-propenyl]amino]-5-methyl-4-[4-(2-methylpropyl)phenyl]-, 3-ethyl ester (CAS 519016-41-2) is a chemical compound with molecular formula C22H25NO5S and molecular weight 415.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-[[3-ethoxycarbonyl-5-methyl-4-[4-(2-methylpropyl)phenyl]thiophen-2-yl]amino]-4-oxobut-2-enoic acid
Also Known As: 3-thiophenecarboxylic acid, 2-[[(2E)-3-carboxy-1-oxo-2-propenyl]amino]-5-methyl-4-[4-(2-methylpropyl)phenyl]-, 3-ethyl ester, (2E)-3-(N-{3-(ethoxycarbonyl)-5-methyl-4-[4-(2-methylpropyl)phenyl](2-thienyl) }carbamoyl)prop-2-enoic acid, (2E)-4-({3-(ethoxycarbonyl)-5-methyl-4-[4-(2-methylpropyl)phenyl]thiophen-2-yl}amino)-4-oxobut-2-enoic acid, (2E)-4-[[3-(ETHOXYCARBONYL)-4-(4-ISOBUTYLPHENYL)-5-METHYL-2-THIENYL]AMINO]-4-OXOBUT-2-ENOIC ACID, (E)-4-[[3-ethoxycarbonyl-5-methyl-4-[4-(2-methylpropyl)phenyl]thiophen-2-yl]amino]-4-oxobut-2-enoic acid
| Molecular Formula | C22H25NO5S |
|---|---|
| Molecular Weight | 415.15 g/mol |
| LogP | 4.67802 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 415.14536 |
| Heavy Atoms | 29 |
| Complexity | 925.42444 |
Chemical Identifiers
| CAS Number | 519016-41-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)CC(C)C)C)NC(=O)/C=C/C(=O)O |
Product Overview
3-thiophenecarboxylic acid, 2-[[(2E)-3-carboxy-1-oxo-2-propenyl]amino]-5-methyl-4-[4-(2-methylpropyl)phenyl]-, 3-ethyl ester (CAS 519016-41-2), with molecular formula C22H25NO5S and molecular weight 415.15 g/mol. IUPAC: (E)-4-[[3-ethoxycarbonyl-5-methyl-4-[4-(2-methylpropyl)phenyl]thiophen-2-yl]amino]-4-oxobut-2-enoic acid.
Chemical Property Profile of 3-thiophenecarboxylic acid, 2-[[(2E)-3-carboxy-1-oxo-2-propenyl]amino]-5-methyl-4-[4-(2-methylpropyl)phenyl]-, 3-ethyl ester
Property Insights of 3-thiophenecarboxylic acid, 2-[[(2E)-3-carboxy-1-oxo-2-propenyl]amino]-5-methyl-4-[4-(2-methylpropyl)phenyl]-, 3-ethyl ester
The XLogP value of 4.67802 indicates that 3-thiophenecarboxylic acid, 2-[[(2E)-3-carboxy-1-oxo-2-propenyl]amino]-5-methyl-4-[4-(2-methylpropyl)phenyl]-, 3-ethyl ester 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 3-thiophenecarboxylic acid, 2-[[(2E)-3-carboxy-1-oxo-2-propenyl]amino]-5-methyl-4-[4-(2-methylpropyl)phenyl]-, 3-ethyl ester. Following Lipinski's Rule of Five, 3-thiophenecarboxylic acid, 2-[[(2E)-3-carboxy-1-oxo-2-propenyl]amino]-5-methyl-4-[4-(2-methylpropyl)phenyl]-, 3-ethyl ester 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 3-thiophenecarboxylic acid, 2-[[(2E)-3-carboxy-1-oxo-2-propenyl]amino]-5-methyl-4-[4-(2-methylpropyl)phenyl]-, 3-ethyl ester?
The CAS number of 3-thiophenecarboxylic acid, 2-[[(2E)-3-carboxy-1-oxo-2-propenyl]amino]-5-methyl-4-[4-(2-methylpropyl)phenyl]-, 3-ethyl ester is 519016-41-2.
What is the molecular formula of 3-thiophenecarboxylic acid, 2-[[(2E)-3-carboxy-1-oxo-2-propenyl]amino]-5-methyl-4-[4-(2-methylpropyl)phenyl]-, 3-ethyl ester?
The molecular formula of 3-thiophenecarboxylic acid, 2-[[(2E)-3-carboxy-1-oxo-2-propenyl]amino]-5-methyl-4-[4-(2-methylpropyl)phenyl]-, 3-ethyl ester is C22H25NO5S.
What is the molecular weight of 3-thiophenecarboxylic acid, 2-[[(2E)-3-carboxy-1-oxo-2-propenyl]amino]-5-methyl-4-[4-(2-methylpropyl)phenyl]-, 3-ethyl ester?
The molecular weight of 3-thiophenecarboxylic acid, 2-[[(2E)-3-carboxy-1-oxo-2-propenyl]amino]-5-methyl-4-[4-(2-methylpropyl)phenyl]-, 3-ethyl ester is 415.15 g/mol.
Where can I buy 3-thiophenecarboxylic acid, 2-[[(2E)-3-carboxy-1-oxo-2-propenyl]amino]-5-methyl-4-[4-(2-methylpropyl)phenyl]-, 3-ethyl ester?
You can request a quote for 3-thiophenecarboxylic acid, 2-[[(2E)-3-carboxy-1-oxo-2-propenyl]amino]-5-methyl-4-[4-(2-methylpropyl)phenyl]-, 3-ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-thiophenecarboxylic acid, 2-[[(2E)-3-carboxy-1-oxo-2-propenyl]amino]-5-methyl-4-[4-(2-methylpropyl)phenyl]-, 3-ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-thiophenecarboxylic acid, 2-[[(2E)-3-carboxy-1-oxo-2-propenyl]amino]-5-methyl-4-[4-(2-methylpropyl)phenyl]-, 3-ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.