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Ethyl 2-[(2-ethoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate
TL;DR: Ethyl 2-[(2-ethoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate (CAS 314055-25-9) is a chemical compound with molecular formula C18H21NO4S and molecular weight 347.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(2-ethoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate
Also Known As: BAS 00539744, BIM-0023647.P001, ethyl 2-[(2-ethoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate, ETHYL 2-(2-ETHOXYBENZAMIDO)-4,5-DIMETHYLTHIOPHENE-3-CARBOXYLATE, 2-(2-Ethoxy-benzoylamino)-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester
| Molecular Formula | C18H21NO4S |
|---|---|
| Molecular Weight | 347.12 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 92.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 347.11914 |
| Heavy Atoms | 24 |
| Complexity | 445.0 |
Chemical Identifiers
| CAS Number | 314055-25-9 |
|---|---|
| SMILES | CCOC1=CC=CC=C1C(=O)NC2=C(C(=C(S2)C)C)C(=O)OCC |
| InChIKey | AZJJGWMSLXOBCH-UHFFFAOYSA-N |
Product Overview
Ethyl 2-[(2-ethoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate (CAS 314055-25-9), with molecular formula C18H21NO4S and molecular weight 347.12 g/mol. IUPAC: ethyl 2-[(2-ethoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate.
Chemical Property Profile of Ethyl 2-[(2-ethoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate
Property Insights of Ethyl 2-[(2-ethoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate
The XLogP value of 4.6 indicates that Ethyl 2-[(2-ethoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-[(2-ethoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 2-[(2-ethoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate has 1 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 Ethyl 2-[(2-ethoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate?
The CAS number of Ethyl 2-[(2-ethoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate is 314055-25-9.
What is the molecular formula of Ethyl 2-[(2-ethoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate?
The molecular formula of Ethyl 2-[(2-ethoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate is C18H21NO4S.
What is the molecular weight of Ethyl 2-[(2-ethoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate?
The molecular weight of Ethyl 2-[(2-ethoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate is 347.12 g/mol.
Where can I buy Ethyl 2-[(2-ethoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate?
You can request a quote for Ethyl 2-[(2-ethoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-[(2-ethoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[(2-ethoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.