![ethyl 2-{[2-(3,4-dimethylphenoxy)butanoyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate structure](/static/products/4381/438196-86-2.webp)
ethyl 2-{[2-(3,4-dimethylphenoxy)butanoyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
TL;DR: ethyl 2-{[2-(3,4-dimethylphenoxy)butanoyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 438196-86-2) is a chemical compound with molecular formula C25H33NO4S and molecular weight 443.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[2-(3,4-dimethylphenoxy)butanoylamino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: ethyl 2-{[2-(3,4-dimethylphenoxy)butanoyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-[2-(3,4-dimethylphenoxy)butanoylamino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-(2-(3,4-dimethylphenoxy)butanamido)-6-ethyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 2-[2-(3,4-dimethylphenoxy)butanoylamino]-6-ethyl-4,5,6,7-tetrahydrobenzo [b]thiophene-3-carboxylate
| Molecular Formula | C25H33NO4S |
|---|---|
| Molecular Weight | 443.21 g/mol |
| LogP | 5.85264 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 443.21304 |
| Heavy Atoms | 31 |
| Complexity | 949.2389 |
Chemical Identifiers
| CAS Number | 438196-86-2 |
|---|---|
| SMILES | CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)C(CC)OC3=CC(=C(C=C3)C)C |
Product Overview
ethyl 2-{[2-(3,4-dimethylphenoxy)butanoyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 438196-86-2), with molecular formula C25H33NO4S and molecular weight 443.21 g/mol. IUPAC: ethyl 2-[2-(3,4-dimethylphenoxy)butanoylamino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of ethyl 2-{[2-(3,4-dimethylphenoxy)butanoyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Property Insights of ethyl 2-{[2-(3,4-dimethylphenoxy)butanoyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
The XLogP value of 5.85264 indicates that ethyl 2-{[2-(3,4-dimethylphenoxy)butanoyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-{[2-(3,4-dimethylphenoxy)butanoyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate. Following Lipinski's Rule of Five, ethyl 2-{[2-(3,4-dimethylphenoxy)butanoyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 2-{[2-(3,4-dimethylphenoxy)butanoyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The CAS number of ethyl 2-{[2-(3,4-dimethylphenoxy)butanoyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 438196-86-2.
What is the molecular formula of ethyl 2-{[2-(3,4-dimethylphenoxy)butanoyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular formula of ethyl 2-{[2-(3,4-dimethylphenoxy)butanoyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is C25H33NO4S.
What is the molecular weight of ethyl 2-{[2-(3,4-dimethylphenoxy)butanoyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular weight of ethyl 2-{[2-(3,4-dimethylphenoxy)butanoyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 443.21 g/mol.
Where can I buy ethyl 2-{[2-(3,4-dimethylphenoxy)butanoyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
You can request a quote for ethyl 2-{[2-(3,4-dimethylphenoxy)butanoyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-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-(3,4-dimethylphenoxy)butanoyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-{[2-(3,4-dimethylphenoxy)butanoyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.