![ethyl 2-{[(2-chloro-6-fluorophenyl)acetyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate structure](/static/products/4382/438212-93-2.webp)
ethyl 2-{[(2-chloro-6-fluorophenyl)acetyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
TL;DR: ethyl 2-{[(2-chloro-6-fluorophenyl)acetyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 438212-93-2) is a chemical compound with molecular formula C21H23ClFNO3S and molecular weight 423.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: ethyl 2-{[(2-chloro-6-fluorophenyl)acetyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-(2-(2-chloro-6-fluorophenyl)acetamido)-6-ethyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 2-[2-(6-chloro-2-fluorophenyl)acetylamino]-6-ethyl-4,5,6,7-tetrahydroben zo[b]thiophene-3-carboxylate
| Molecular Formula | C21H23ClFNO3S |
|---|---|
| Molecular Weight | 423.11 g/mol |
| LogP | 5.4134 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 423.10712 |
| Heavy Atoms | 28 |
| Complexity | 875.7661 |
Chemical Identifiers
| CAS Number | 438212-93-2 |
|---|---|
| SMILES | CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)CC3=C(C=CC=C3Cl)F |
Product Overview
ethyl 2-{[(2-chloro-6-fluorophenyl)acetyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 438212-93-2), with molecular formula C21H23ClFNO3S and molecular weight 423.11 g/mol. IUPAC: ethyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of ethyl 2-{[(2-chloro-6-fluorophenyl)acetyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Property Insights of ethyl 2-{[(2-chloro-6-fluorophenyl)acetyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
The XLogP value of 5.4134 indicates that ethyl 2-{[(2-chloro-6-fluorophenyl)acetyl]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. With a topological polar surface area (TPSA) of 55.4 Ų, ethyl 2-{[(2-chloro-6-fluorophenyl)acetyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 2-{[(2-chloro-6-fluorophenyl)acetyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate has 1 hydrogen bond donor(s) and 4 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-chloro-6-fluorophenyl)acetyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The CAS number of ethyl 2-{[(2-chloro-6-fluorophenyl)acetyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 438212-93-2.
What is the molecular formula of ethyl 2-{[(2-chloro-6-fluorophenyl)acetyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular formula of ethyl 2-{[(2-chloro-6-fluorophenyl)acetyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is C21H23ClFNO3S.
What is the molecular weight of ethyl 2-{[(2-chloro-6-fluorophenyl)acetyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular weight of ethyl 2-{[(2-chloro-6-fluorophenyl)acetyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 423.11 g/mol.
Where can I buy ethyl 2-{[(2-chloro-6-fluorophenyl)acetyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
You can request a quote for ethyl 2-{[(2-chloro-6-fluorophenyl)acetyl]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-chloro-6-fluorophenyl)acetyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-{[(2-chloro-6-fluorophenyl)acetyl]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.