![N-(tert-butyl)-3-chloro-7-isobutyramidobenzo[b]thiophene-2-carboxamide structure](/static/products/895/895076-41-2.png)
N-(tert-butyl)-3-chloro-7-isobutyramidobenzo[b]thiophene-2-carboxamide
TL;DR: N-(tert-butyl)-3-chloro-7-isobutyramidobenzo[b]thiophene-2-carboxamide (CAS 895076-41-2) is a chemical compound with molecular formula C17H21ClN2O2S and molecular weight 352.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-tert-butyl-3-chloro-7-(2-methylpropanoylamino)-1-benzothiophene-2-carboxamide
Also Known As: N-(tert-butyl)-3-chloro-7-isobutyramidobenzo[b]thiophene-2-carboxamide, N-tert-butyl-3-chloro-7-(2-methylpropanoylamino)-1-benzothiophene-2-carboxamide, N-tert-butyl-3-chloro-7-[(2-methylpropanoyl)amino]-1-benzothiophene-2-carboxamide
| Molecular Formula | C17H21ClN2O2S |
|---|---|
| Molecular Weight | 352.10 g/mol |
| LogP | 4.6775 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 352.10123 |
| Heavy Atoms | 23 |
| Complexity | 759.77454 |
Chemical Identifiers
| CAS Number | 895076-41-2 |
|---|---|
| SMILES | CC(C)C(=O)NC1=CC=CC2=C1SC(=C2Cl)C(=O)NC(C)(C)C |
Product Overview
N-(tert-butyl)-3-chloro-7-isobutyramidobenzo[b]thiophene-2-carboxamide (CAS 895076-41-2), with molecular formula C17H21ClN2O2S and molecular weight 352.10 g/mol. IUPAC: N-tert-butyl-3-chloro-7-(2-methylpropanoylamino)-1-benzothiophene-2-carboxamide.
Chemical Property Profile of N-(tert-butyl)-3-chloro-7-isobutyramidobenzo[b]thiophene-2-carboxamide
Property Insights of N-(tert-butyl)-3-chloro-7-isobutyramidobenzo[b]thiophene-2-carboxamide
The XLogP value of 4.6775 indicates that N-(tert-butyl)-3-chloro-7-isobutyramidobenzo[b]thiophene-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.2 Ų, N-(tert-butyl)-3-chloro-7-isobutyramidobenzo[b]thiophene-2-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(tert-butyl)-3-chloro-7-isobutyramidobenzo[b]thiophene-2-carboxamide has 2 hydrogen bond donor(s) and 3 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 N-(tert-butyl)-3-chloro-7-isobutyramidobenzo[b]thiophene-2-carboxamide?
The CAS number of N-(tert-butyl)-3-chloro-7-isobutyramidobenzo[b]thiophene-2-carboxamide is 895076-41-2.
What is the molecular formula of N-(tert-butyl)-3-chloro-7-isobutyramidobenzo[b]thiophene-2-carboxamide?
The molecular formula of N-(tert-butyl)-3-chloro-7-isobutyramidobenzo[b]thiophene-2-carboxamide is C17H21ClN2O2S.
What is the molecular weight of N-(tert-butyl)-3-chloro-7-isobutyramidobenzo[b]thiophene-2-carboxamide?
The molecular weight of N-(tert-butyl)-3-chloro-7-isobutyramidobenzo[b]thiophene-2-carboxamide is 352.10 g/mol.
Where can I buy N-(tert-butyl)-3-chloro-7-isobutyramidobenzo[b]thiophene-2-carboxamide?
You can request a quote for N-(tert-butyl)-3-chloro-7-isobutyramidobenzo[b]thiophene-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-(tert-butyl)-3-chloro-7-isobutyramidobenzo[b]thiophene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(tert-butyl)-3-chloro-7-isobutyramidobenzo[b]thiophene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.