![3-thiophenecarboxylic acid, 2-[[(2E)-3-carboxy-1-oxo-2-propenyl]amino]-4-(1-naphthalenyl)-, 3-ethyl ester structure](/static/products/5190/519016-50-3.webp)
3-thiophenecarboxylic acid, 2-[[(2E)-3-carboxy-1-oxo-2-propenyl]amino]-4-(1-naphthalenyl)-, 3-ethyl ester
TL;DR: 3-thiophenecarboxylic acid, 2-[[(2E)-3-carboxy-1-oxo-2-propenyl]amino]-4-(1-naphthalenyl)-, 3-ethyl ester (CAS 519016-50-3) is a chemical compound with molecular formula C21H17NO5S and molecular weight 395.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-[(3-ethoxycarbonyl-4-naphthalen-1-ylthiophen-2-yl)amino]-4-oxobut-2-enoic acid
Also Known As: 3-thiophenecarboxylic acid, 2-[[(2E)-3-carboxy-1-oxo-2-propenyl]amino]-4-(1-naphthalenyl)-, 3-ethyl ester, (2E)-3-{N-[3-(ethoxycarbonyl)-4-naphthyl(2-thienyl)]carbamoyl}prop-2-enoic aci d, (E)-4-[(3-ethoxycarbonyl-4-naphthalen-1-ylthiophen-2-yl)amino]-4-oxobut-2-enoic acid, 3-[(3-ethoxycarbonyl-4-naphthalen-1-yl-thiophen-2-yl)carbamoyl]prop-2-enoic Acid, 4-{[3-(ethoxycarbonyl)-4-(1-naphthyl)-2-thienyl]amino}-4-oxo-2-butenoic acid
| Molecular Formula | C21H17NO5S |
|---|---|
| Molecular Weight | 395.08 g/mol |
| LogP | 4.3243 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 395.08273 |
| Heavy Atoms | 28 |
| Complexity | 1078.0944 |
Chemical Identifiers
| CAS Number | 519016-50-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC=C1C2=CC=CC3=CC=CC=C32)NC(=O)/C=C/C(=O)O |
Product Overview
3-thiophenecarboxylic acid, 2-[[(2E)-3-carboxy-1-oxo-2-propenyl]amino]-4-(1-naphthalenyl)-, 3-ethyl ester (CAS 519016-50-3), with molecular formula C21H17NO5S and molecular weight 395.08 g/mol. IUPAC: (E)-4-[(3-ethoxycarbonyl-4-naphthalen-1-ylthiophen-2-yl)amino]-4-oxobut-2-enoic acid.
Chemical Property Profile of 3-thiophenecarboxylic acid, 2-[[(2E)-3-carboxy-1-oxo-2-propenyl]amino]-4-(1-naphthalenyl)-, 3-ethyl ester
Property Insights of 3-thiophenecarboxylic acid, 2-[[(2E)-3-carboxy-1-oxo-2-propenyl]amino]-4-(1-naphthalenyl)-, 3-ethyl ester
The XLogP value of 4.3243 indicates that 3-thiophenecarboxylic acid, 2-[[(2E)-3-carboxy-1-oxo-2-propenyl]amino]-4-(1-naphthalenyl)-, 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]-4-(1-naphthalenyl)-, 3-ethyl ester. Following Lipinski's Rule of Five, 3-thiophenecarboxylic acid, 2-[[(2E)-3-carboxy-1-oxo-2-propenyl]amino]-4-(1-naphthalenyl)-, 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]-4-(1-naphthalenyl)-, 3-ethyl ester?
The CAS number of 3-thiophenecarboxylic acid, 2-[[(2E)-3-carboxy-1-oxo-2-propenyl]amino]-4-(1-naphthalenyl)-, 3-ethyl ester is 519016-50-3.
What is the molecular formula of 3-thiophenecarboxylic acid, 2-[[(2E)-3-carboxy-1-oxo-2-propenyl]amino]-4-(1-naphthalenyl)-, 3-ethyl ester?
The molecular formula of 3-thiophenecarboxylic acid, 2-[[(2E)-3-carboxy-1-oxo-2-propenyl]amino]-4-(1-naphthalenyl)-, 3-ethyl ester is C21H17NO5S.
What is the molecular weight of 3-thiophenecarboxylic acid, 2-[[(2E)-3-carboxy-1-oxo-2-propenyl]amino]-4-(1-naphthalenyl)-, 3-ethyl ester?
The molecular weight of 3-thiophenecarboxylic acid, 2-[[(2E)-3-carboxy-1-oxo-2-propenyl]amino]-4-(1-naphthalenyl)-, 3-ethyl ester is 395.08 g/mol.
Where can I buy 3-thiophenecarboxylic acid, 2-[[(2E)-3-carboxy-1-oxo-2-propenyl]amino]-4-(1-naphthalenyl)-, 3-ethyl ester?
You can request a quote for 3-thiophenecarboxylic acid, 2-[[(2E)-3-carboxy-1-oxo-2-propenyl]amino]-4-(1-naphthalenyl)-, 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]-4-(1-naphthalenyl)-, 3-ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-thiophenecarboxylic acid, 2-[[(2E)-3-carboxy-1-oxo-2-propenyl]amino]-4-(1-naphthalenyl)-, 3-ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.