![N-[1-(4-tert-butylphenyl)ethyl]-3-chloro-4-fluoro-1-benzothiophene-2-carboxamide structure](/static/products/5886/588674-59-3.webp)
N-[1-(4-tert-butylphenyl)ethyl]-3-chloro-4-fluoro-1-benzothiophene-2-carboxamide
TL;DR: N-[1-(4-tert-butylphenyl)ethyl]-3-chloro-4-fluoro-1-benzothiophene-2-carboxamide (CAS 588674-59-3) is a chemical compound with molecular formula C21H21ClFNOS and molecular weight 389.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-(4-tert-butylphenyl)ethyl]-3-chloro-4-fluoro-1-benzothiophene-2-carboxamide
Also Known As: N-[1-(4-tert-butylphenyl)ethyl]-3-chloro-4-fluoro-1-benzothiophene-2-carboxamide, Benzo[b]thiophene-2-carboxamide, 3-chloro-N-[1-[4-(1,1-dimethylethyl)phenyl]ethyl]-4-fluoro- (9CI), 3-chloro-4-fluoro-N-[1-(4-tert-butylphenyl)ethyl]benzothiophene-2-carboxamide, N-{[4-(tert-butyl)phenyl]ethyl}(3-chloro-4-fluorobenzo[b]thiophen-2-yl)carboxa mide, benzo[b]thiophene-2-carboxamide,3-chloro-N-[1-[4-(1,1-dimethylethyl)phenyl]ethyl]-4-fluoro-
| Molecular Formula | C21H21ClFNOS |
|---|---|
| Molecular Weight | 389.10 g/mol |
| LogP | 6.4823 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 389.10165 |
| Heavy Atoms | 26 |
| Complexity | 956.5418 |
Chemical Identifiers
| CAS Number | 588674-59-3 |
|---|---|
| SMILES | CC(C1=CC=C(C=C1)C(C)(C)C)NC(=O)C2=C(C3=C(C=CC=C3S2)F)Cl |
Product Overview
N-[1-(4-tert-butylphenyl)ethyl]-3-chloro-4-fluoro-1-benzothiophene-2-carboxamide (CAS 588674-59-3), with molecular formula C21H21ClFNOS and molecular weight 389.10 g/mol. IUPAC: N-[1-(4-tert-butylphenyl)ethyl]-3-chloro-4-fluoro-1-benzothiophene-2-carboxamide.
Chemical Property Profile of N-[1-(4-tert-butylphenyl)ethyl]-3-chloro-4-fluoro-1-benzothiophene-2-carboxamide
Property Insights of N-[1-(4-tert-butylphenyl)ethyl]-3-chloro-4-fluoro-1-benzothiophene-2-carboxamide
The XLogP value of 6.4823 indicates that N-[1-(4-tert-butylphenyl)ethyl]-3-chloro-4-fluoro-1-benzothiophene-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, N-[1-(4-tert-butylphenyl)ethyl]-3-chloro-4-fluoro-1-benzothiophene-2-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[1-(4-tert-butylphenyl)ethyl]-3-chloro-4-fluoro-1-benzothiophene-2-carboxamide has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-[1-(4-tert-butylphenyl)ethyl]-3-chloro-4-fluoro-1-benzothiophene-2-carboxamide?
The CAS number of N-[1-(4-tert-butylphenyl)ethyl]-3-chloro-4-fluoro-1-benzothiophene-2-carboxamide is 588674-59-3.
What is the molecular formula of N-[1-(4-tert-butylphenyl)ethyl]-3-chloro-4-fluoro-1-benzothiophene-2-carboxamide?
The molecular formula of N-[1-(4-tert-butylphenyl)ethyl]-3-chloro-4-fluoro-1-benzothiophene-2-carboxamide is C21H21ClFNOS.
What is the molecular weight of N-[1-(4-tert-butylphenyl)ethyl]-3-chloro-4-fluoro-1-benzothiophene-2-carboxamide?
The molecular weight of N-[1-(4-tert-butylphenyl)ethyl]-3-chloro-4-fluoro-1-benzothiophene-2-carboxamide is 389.10 g/mol.
Where can I buy N-[1-(4-tert-butylphenyl)ethyl]-3-chloro-4-fluoro-1-benzothiophene-2-carboxamide?
You can request a quote for N-[1-(4-tert-butylphenyl)ethyl]-3-chloro-4-fluoro-1-benzothiophene-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[1-(4-tert-butylphenyl)ethyl]-3-chloro-4-fluoro-1-benzothiophene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-[1-(4-tert-butylphenyl)ethyl]-3-chloro-4-fluoro-1-benzothiophene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.