N-(2-butan-2-ylphenyl)-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide
TL;DR: N-(2-butan-2-ylphenyl)-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide (CAS 445015-50-9) is a chemical compound with molecular formula C19H17ClFNOS and molecular weight 361.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-butan-2-ylphenyl)-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide
Also Known As: N-(2-butan-2-ylphenyl)-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide, N-[2-(butan-2-yl)phenyl]-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide, N-(2-sec-butylphenyl)-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide, (3-chloro-6-fluorobenzo[b]thiophen-2-yl)-N-[2-(methylpropyl)phenyl]carboxamide
| Molecular Formula | C19H17ClFNOS |
|---|---|
| Molecular Weight | 361.07 g/mol |
| LogP | 6.4596 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 361.07034 |
| Heavy Atoms | 24 |
| Complexity | 905.51825 |
Chemical Identifiers
| CAS Number | 445015-50-9 |
|---|---|
| SMILES | CCC(C)C1=CC=CC=C1NC(=O)C2=C(C3=C(S2)C=C(C=C3)F)Cl |
Product Overview
N-(2-butan-2-ylphenyl)-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide (CAS 445015-50-9), with molecular formula C19H17ClFNOS and molecular weight 361.07 g/mol. IUPAC: N-(2-butan-2-ylphenyl)-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide.
Chemical Property Profile of N-(2-butan-2-ylphenyl)-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide
Property Insights of N-(2-butan-2-ylphenyl)-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide
The XLogP value of 6.4596 indicates that N-(2-butan-2-ylphenyl)-3-chloro-6-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-(2-butan-2-ylphenyl)-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-butan-2-ylphenyl)-3-chloro-6-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-(2-butan-2-ylphenyl)-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide?
The CAS number of N-(2-butan-2-ylphenyl)-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide is 445015-50-9.
What is the molecular formula of N-(2-butan-2-ylphenyl)-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide?
The molecular formula of N-(2-butan-2-ylphenyl)-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide is C19H17ClFNOS.
What is the molecular weight of N-(2-butan-2-ylphenyl)-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide?
The molecular weight of N-(2-butan-2-ylphenyl)-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide is 361.07 g/mol.
Where can I buy N-(2-butan-2-ylphenyl)-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide?
You can request a quote for N-(2-butan-2-ylphenyl)-3-chloro-6-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-(2-butan-2-ylphenyl)-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-butan-2-ylphenyl)-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.