![2-methoxyethyl 2-{[2-(4-fluorophenoxy)propanoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate structure](/static/products/3527/352702-10-4.webp)
2-methoxyethyl 2-{[2-(4-fluorophenoxy)propanoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
TL;DR: 2-methoxyethyl 2-{[2-(4-fluorophenoxy)propanoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 352702-10-4) is a chemical compound with molecular formula C21H24FNO5S and molecular weight 421.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxyethyl 2-[2-(4-fluorophenoxy)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: 2-methoxyethyl 2-{[2-(4-fluorophenoxy)propanoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, 2-methoxyethyl 2-[2-(4-fluorophenoxy)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, 2-methoxyethyl 2-(2-(4-fluorophenoxy)propanamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
| Molecular Formula | C21H24FNO5S |
|---|---|
| Molecular Weight | 421.14 g/mol |
| LogP | 3.9752 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 421.13593 |
| Heavy Atoms | 29 |
| Complexity | 864.70154 |
Chemical Identifiers
| CAS Number | 352702-10-4 |
|---|---|
| SMILES | CC(C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OCCOC)OC3=CC=C(C=C3)F |
Product Overview
2-methoxyethyl 2-{[2-(4-fluorophenoxy)propanoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 352702-10-4), with molecular formula C21H24FNO5S and molecular weight 421.14 g/mol. IUPAC: 2-methoxyethyl 2-[2-(4-fluorophenoxy)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of 2-methoxyethyl 2-{[2-(4-fluorophenoxy)propanoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Property Insights of 2-methoxyethyl 2-{[2-(4-fluorophenoxy)propanoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
The XLogP value of 3.9752 indicates that 2-methoxyethyl 2-{[2-(4-fluorophenoxy)propanoyl]amino}-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 73.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-methoxyethyl 2-{[2-(4-fluorophenoxy)propanoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate. Following Lipinski's Rule of Five, 2-methoxyethyl 2-{[2-(4-fluorophenoxy)propanoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate has 1 hydrogen bond donor(s) and 6 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 2-methoxyethyl 2-{[2-(4-fluorophenoxy)propanoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The CAS number of 2-methoxyethyl 2-{[2-(4-fluorophenoxy)propanoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 352702-10-4.
What is the molecular formula of 2-methoxyethyl 2-{[2-(4-fluorophenoxy)propanoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular formula of 2-methoxyethyl 2-{[2-(4-fluorophenoxy)propanoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is C21H24FNO5S.
What is the molecular weight of 2-methoxyethyl 2-{[2-(4-fluorophenoxy)propanoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular weight of 2-methoxyethyl 2-{[2-(4-fluorophenoxy)propanoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 421.14 g/mol.
Where can I buy 2-methoxyethyl 2-{[2-(4-fluorophenoxy)propanoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
You can request a quote for 2-methoxyethyl 2-{[2-(4-fluorophenoxy)propanoyl]amino}-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 2-methoxyethyl 2-{[2-(4-fluorophenoxy)propanoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-methoxyethyl 2-{[2-(4-fluorophenoxy)propanoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.