![methyl 2-{[2-(3,4-dimethylphenoxy)butanoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate structure](/static/products/4381/438196-69-1.webp)
methyl 2-{[2-(3,4-dimethylphenoxy)butanoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
TL;DR: methyl 2-{[2-(3,4-dimethylphenoxy)butanoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 438196-69-1) is a chemical compound with molecular formula C23H29NO4S and molecular weight 415.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[2-(3,4-dimethylphenoxy)butanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: methyl 2-{[2-(3,4-dimethylphenoxy)butanoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-[2-(3,4-dimethylphenoxy)butanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-(2-(3,4-dimethylphenoxy)butanamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, methyl 2-[2-(3,4-dimethylphenoxy)butanoylamino]-6-methyl-4,5,6,7-tetrahydroben zo[b]thiophene-3-carboxylate
| Molecular Formula | C23H29NO4S |
|---|---|
| Molecular Weight | 415.18 g/mol |
| LogP | 5.07244 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 415.18173 |
| Heavy Atoms | 29 |
| Complexity | 917.8419 |
Chemical Identifiers
| CAS Number | 438196-69-1 |
|---|---|
| SMILES | CCC(C(=O)NC1=C(C2=C(S1)CC(CC2)C)C(=O)OC)OC3=CC(=C(C=C3)C)C |
Product Overview
methyl 2-{[2-(3,4-dimethylphenoxy)butanoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 438196-69-1), with molecular formula C23H29NO4S and molecular weight 415.18 g/mol. IUPAC: methyl 2-[2-(3,4-dimethylphenoxy)butanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of methyl 2-{[2-(3,4-dimethylphenoxy)butanoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Property Insights of methyl 2-{[2-(3,4-dimethylphenoxy)butanoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
The XLogP value of 5.07244 indicates that methyl 2-{[2-(3,4-dimethylphenoxy)butanoyl]amino}-6-methyl-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 methyl 2-{[2-(3,4-dimethylphenoxy)butanoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate. Following Lipinski's Rule of Five, methyl 2-{[2-(3,4-dimethylphenoxy)butanoyl]amino}-6-methyl-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 methyl 2-{[2-(3,4-dimethylphenoxy)butanoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The CAS number of methyl 2-{[2-(3,4-dimethylphenoxy)butanoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 438196-69-1.
What is the molecular formula of methyl 2-{[2-(3,4-dimethylphenoxy)butanoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular formula of methyl 2-{[2-(3,4-dimethylphenoxy)butanoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is C23H29NO4S.
What is the molecular weight of methyl 2-{[2-(3,4-dimethylphenoxy)butanoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular weight of methyl 2-{[2-(3,4-dimethylphenoxy)butanoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 415.18 g/mol.
Where can I buy methyl 2-{[2-(3,4-dimethylphenoxy)butanoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
You can request a quote for methyl 2-{[2-(3,4-dimethylphenoxy)butanoyl]amino}-6-methyl-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 methyl 2-{[2-(3,4-dimethylphenoxy)butanoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-{[2-(3,4-dimethylphenoxy)butanoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.