Ethyl 2-(4-methoxybenzamido)-4,5-dimethylthiophene-3-carboxylate
TL;DR: Ethyl 2-(4-methoxybenzamido)-4,5-dimethylthiophene-3-carboxylate (CAS 107113-09-7) is a chemical compound with molecular formula C17H19NO4S and molecular weight 333.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(4-methoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate
Also Known As: ethyl 2-(4-methoxybenzamido)-4,5-dimethylthiophene-3-carboxylate, ethyl 2-{[(4-methoxyphenyl)carbonyl]amino}-4,5-dimethylthiophene-3-carboxylate, F0866-0230, ethyl 2-[(4-methoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate, ETHYL 2-[(4-METHOXYBENZOYL)AMINO]-4,5-DIMETHYL-3-THIOPHENECARBOXYLATE
| Molecular Formula | C17H19NO4S |
|---|---|
| Molecular Weight | 333.10 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 92.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 333.1035 |
| Heavy Atoms | 23 |
| Complexity | 423.0 |
Chemical Identifiers
| CAS Number | 107113-09-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2=CC=C(C=C2)OC |
| InChIKey | RHMYLSCYCYSANN-UHFFFAOYSA-N |
Product Overview
Ethyl 2-(4-methoxybenzamido)-4,5-dimethylthiophene-3-carboxylate (CAS 107113-09-7), with molecular formula C17H19NO4S and molecular weight 333.10 g/mol. IUPAC: ethyl 2-[(4-methoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate.
Chemical Property Profile of Ethyl 2-(4-methoxybenzamido)-4,5-dimethylthiophene-3-carboxylate
Property Insights of Ethyl 2-(4-methoxybenzamido)-4,5-dimethylthiophene-3-carboxylate
The XLogP value of 4.3 indicates that Ethyl 2-(4-methoxybenzamido)-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-(4-methoxybenzamido)-4,5-dimethylthiophene-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 2-(4-methoxybenzamido)-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-(4-methoxybenzamido)-4,5-dimethylthiophene-3-carboxylate?
The CAS number of Ethyl 2-(4-methoxybenzamido)-4,5-dimethylthiophene-3-carboxylate is 107113-09-7.
What is the molecular formula of Ethyl 2-(4-methoxybenzamido)-4,5-dimethylthiophene-3-carboxylate?
The molecular formula of Ethyl 2-(4-methoxybenzamido)-4,5-dimethylthiophene-3-carboxylate is C17H19NO4S.
What is the molecular weight of Ethyl 2-(4-methoxybenzamido)-4,5-dimethylthiophene-3-carboxylate?
The molecular weight of Ethyl 2-(4-methoxybenzamido)-4,5-dimethylthiophene-3-carboxylate is 333.10 g/mol.
Where can I buy Ethyl 2-(4-methoxybenzamido)-4,5-dimethylthiophene-3-carboxylate?
You can request a quote for Ethyl 2-(4-methoxybenzamido)-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-(4-methoxybenzamido)-4,5-dimethylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(4-methoxybenzamido)-4,5-dimethylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.