![ethyl 6-tert-butyl-2-({[2-(4-chlorophenyl)cyclopropyl]carbonyl}amino)-1-benzothiophene-3-carboxylate structure](/static/products/5225/522597-71-3.webp)
ethyl 6-tert-butyl-2-({[2-(4-chlorophenyl)cyclopropyl]carbonyl}amino)-1-benzothiophene-3-carboxylate
TL;DR: ethyl 6-tert-butyl-2-({[2-(4-chlorophenyl)cyclopropyl]carbonyl}amino)-1-benzothiophene-3-carboxylate (CAS 522597-71-3) is a chemical compound with molecular formula C25H26ClNO3S and molecular weight 455.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-tert-butyl-2-[[2-(4-chlorophenyl)cyclopropanecarbonyl]amino]-1-benzothiophene-3-carboxylate
Also Known As: ethyl 6-tert-butyl-2-({[2-(4-chlorophenyl)cyclopropyl]carbonyl}amino)-1-benzothiophene-3-carboxylate, ethyl 6-tert-butyl-2-[[2-(4-chlorophenyl)cyclopropanecarbonyl]amino]-1-benzothiophene-3-carboxylate, ethyl 6-(tert-butyl)-2-(2-(4-chlorophenyl)cyclopropanecarboxamido)benzo[b]thiophene-3-carboxylate, ethyl 6-(tert-butyl)-2-{[2-(4-chlorophenyl)cyclopropyl]carbonylamino}benzo[b]t hiophene-3-carboxylate
| Molecular Formula | C25H26ClNO3S |
|---|---|
| Molecular Weight | 455.13 g/mol |
| LogP | 6.7711 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 455.1322 |
| Heavy Atoms | 31 |
| Complexity | 1144.0238 |
Chemical Identifiers
| CAS Number | 522597-71-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1C=CC(=C2)C(C)(C)C)NC(=O)C3CC3C4=CC=C(C=C4)Cl |
Product Overview
ethyl 6-tert-butyl-2-({[2-(4-chlorophenyl)cyclopropyl]carbonyl}amino)-1-benzothiophene-3-carboxylate (CAS 522597-71-3), with molecular formula C25H26ClNO3S and molecular weight 455.13 g/mol. IUPAC: ethyl 6-tert-butyl-2-[[2-(4-chlorophenyl)cyclopropanecarbonyl]amino]-1-benzothiophene-3-carboxylate.
Chemical Property Profile of ethyl 6-tert-butyl-2-({[2-(4-chlorophenyl)cyclopropyl]carbonyl}amino)-1-benzothiophene-3-carboxylate
Property Insights of ethyl 6-tert-butyl-2-({[2-(4-chlorophenyl)cyclopropyl]carbonyl}amino)-1-benzothiophene-3-carboxylate
The XLogP value of 6.7711 indicates that ethyl 6-tert-butyl-2-({[2-(4-chlorophenyl)cyclopropyl]carbonyl}amino)-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 6-tert-butyl-2-({[2-(4-chlorophenyl)cyclopropyl]carbonyl}amino)-1-benzothiophene-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 6-tert-butyl-2-({[2-(4-chlorophenyl)cyclopropyl]carbonyl}amino)-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 6-tert-butyl-2-({[2-(4-chlorophenyl)cyclopropyl]carbonyl}amino)-1-benzothiophene-3-carboxylate?
The CAS number of ethyl 6-tert-butyl-2-({[2-(4-chlorophenyl)cyclopropyl]carbonyl}amino)-1-benzothiophene-3-carboxylate is 522597-71-3.
What is the molecular formula of ethyl 6-tert-butyl-2-({[2-(4-chlorophenyl)cyclopropyl]carbonyl}amino)-1-benzothiophene-3-carboxylate?
The molecular formula of ethyl 6-tert-butyl-2-({[2-(4-chlorophenyl)cyclopropyl]carbonyl}amino)-1-benzothiophene-3-carboxylate is C25H26ClNO3S.
What is the molecular weight of ethyl 6-tert-butyl-2-({[2-(4-chlorophenyl)cyclopropyl]carbonyl}amino)-1-benzothiophene-3-carboxylate?
The molecular weight of ethyl 6-tert-butyl-2-({[2-(4-chlorophenyl)cyclopropyl]carbonyl}amino)-1-benzothiophene-3-carboxylate is 455.13 g/mol.
Where can I buy ethyl 6-tert-butyl-2-({[2-(4-chlorophenyl)cyclopropyl]carbonyl}amino)-1-benzothiophene-3-carboxylate?
You can request a quote for ethyl 6-tert-butyl-2-({[2-(4-chlorophenyl)cyclopropyl]carbonyl}amino)-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 6-tert-butyl-2-({[2-(4-chlorophenyl)cyclopropyl]carbonyl}amino)-1-benzothiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 6-tert-butyl-2-({[2-(4-chlorophenyl)cyclopropyl]carbonyl}amino)-1-benzothiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.