ethyl 5-acetyl-2-(3,6-dimethylbenzofuran-2-carboxamido)-4-methylthiophene-3-carboxylate
TL;DR: ethyl 5-acetyl-2-(3,6-dimethylbenzofuran-2-carboxamido)-4-methylthiophene-3-carboxylate (CAS 823827-46-9) is a chemical compound with molecular formula C21H21NO5S and molecular weight 399.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-acetyl-2-[(3,6-dimethyl-1-benzofuran-2-carbonyl)amino]-4-methylthiophene-3-carboxylate
Also Known As: ethyl 5-acetyl-2-(3,6-dimethylbenzofuran-2-carboxamido)-4-methylthiophene-3-carboxylate, ethyl 5-acetyl-2-[(3,6-dimethyl-1-benzofuran-2-carbonyl)amino]-4-methylthiophene-3-carboxylate, ethyl 5-acetyl-2-{[(3,6-dimethyl-1-benzofuran-2-yl)carbonyl]amino}-4-methylthiophene-3-carboxylate
| Molecular Formula | C21H21NO5S |
|---|---|
| Molecular Weight | 399.11 g/mol |
| LogP | 5.05116 |
| Topological Polar Surface Area | 85.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 399.11404 |
| Heavy Atoms | 28 |
| Complexity | 1105.8868 |
Chemical Identifiers
| CAS Number | 823827-46-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)C2=C(C3=C(O2)C=C(C=C3)C)C |
Product Overview
ethyl 5-acetyl-2-(3,6-dimethylbenzofuran-2-carboxamido)-4-methylthiophene-3-carboxylate (CAS 823827-46-9), with molecular formula C21H21NO5S and molecular weight 399.11 g/mol. IUPAC: ethyl 5-acetyl-2-[(3,6-dimethyl-1-benzofuran-2-carbonyl)amino]-4-methylthiophene-3-carboxylate.
Chemical Property Profile of ethyl 5-acetyl-2-(3,6-dimethylbenzofuran-2-carboxamido)-4-methylthiophene-3-carboxylate
Property Insights of ethyl 5-acetyl-2-(3,6-dimethylbenzofuran-2-carboxamido)-4-methylthiophene-3-carboxylate
The XLogP value of 5.05116 indicates that ethyl 5-acetyl-2-(3,6-dimethylbenzofuran-2-carboxamido)-4-methylthiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.61 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 5-acetyl-2-(3,6-dimethylbenzofuran-2-carboxamido)-4-methylthiophene-3-carboxylate. Following Lipinski's Rule of Five, ethyl 5-acetyl-2-(3,6-dimethylbenzofuran-2-carboxamido)-4-methylthiophene-3-carboxylate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 5-acetyl-2-(3,6-dimethylbenzofuran-2-carboxamido)-4-methylthiophene-3-carboxylate?
The CAS number of ethyl 5-acetyl-2-(3,6-dimethylbenzofuran-2-carboxamido)-4-methylthiophene-3-carboxylate is 823827-46-9.
What is the molecular formula of ethyl 5-acetyl-2-(3,6-dimethylbenzofuran-2-carboxamido)-4-methylthiophene-3-carboxylate?
The molecular formula of ethyl 5-acetyl-2-(3,6-dimethylbenzofuran-2-carboxamido)-4-methylthiophene-3-carboxylate is C21H21NO5S.
What is the molecular weight of ethyl 5-acetyl-2-(3,6-dimethylbenzofuran-2-carboxamido)-4-methylthiophene-3-carboxylate?
The molecular weight of ethyl 5-acetyl-2-(3,6-dimethylbenzofuran-2-carboxamido)-4-methylthiophene-3-carboxylate is 399.11 g/mol.
Where can I buy ethyl 5-acetyl-2-(3,6-dimethylbenzofuran-2-carboxamido)-4-methylthiophene-3-carboxylate?
You can request a quote for ethyl 5-acetyl-2-(3,6-dimethylbenzofuran-2-carboxamido)-4-methylthiophene-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 5-acetyl-2-(3,6-dimethylbenzofuran-2-carboxamido)-4-methylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5-acetyl-2-(3,6-dimethylbenzofuran-2-carboxamido)-4-methylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.