![[2-(2,5-difluoroanilino)-2-oxoethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate structure](/static/products/5682/5682-55-3.webp)
[2-(2,5-difluoroanilino)-2-oxoethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
TL;DR: [2-(2,5-difluoroanilino)-2-oxoethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate (CAS 5682-55-3) is a chemical compound with molecular formula C17H15F2NO3S and molecular weight 351.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(2,5-difluoroanilino)-2-oxoethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
Also Known As: [2-(2,5-difluoroanilino)-2-oxoethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate|2-(2,5-Difluoroanilino)-2-oxoethyl 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
| Molecular Formula | C17H15F2NO3S |
|---|---|
| Molecular Weight | 351.07 g/mol |
| LogP | 3.7006 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 351.07407 |
| Heavy Atoms | 24 |
| Complexity | 764.638 |
Chemical Identifiers
| CAS Number | 5682-55-3 |
|---|---|
| SMILES | C1CCC2=C(C1)C=C(S2)C(=O)OCC(=O)NC3=C(C=CC(=C3)F)F |
Product Overview
[2-(2,5-difluoroanilino)-2-oxoethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate (CAS 5682-55-3), with molecular formula C17H15F2NO3S and molecular weight 351.07 g/mol. IUPAC: [2-(2,5-difluoroanilino)-2-oxoethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate.
Chemical Property Profile of [2-(2,5-difluoroanilino)-2-oxoethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
Property Insights of [2-(2,5-difluoroanilino)-2-oxoethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
The XLogP value of 3.7006 indicates that [2-(2,5-difluoroanilino)-2-oxoethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, [2-(2,5-difluoroanilino)-2-oxoethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [2-(2,5-difluoroanilino)-2-oxoethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate has 1 hydrogen bond donor(s) and 4 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-(2,5-difluoroanilino)-2-oxoethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate?
The CAS number of [2-(2,5-difluoroanilino)-2-oxoethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate is 5682-55-3.
What is the molecular formula of [2-(2,5-difluoroanilino)-2-oxoethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate?
The molecular formula of [2-(2,5-difluoroanilino)-2-oxoethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate is C17H15F2NO3S.
What is the molecular weight of [2-(2,5-difluoroanilino)-2-oxoethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate?
The molecular weight of [2-(2,5-difluoroanilino)-2-oxoethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate is 351.07 g/mol.
Where can I buy [2-(2,5-difluoroanilino)-2-oxoethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate?
You can request a quote for [2-(2,5-difluoroanilino)-2-oxoethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-(2,5-difluoroanilino)-2-oxoethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for [2-(2,5-difluoroanilino)-2-oxoethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.