N-(4-tert-butylphenyl)-3-chloro-1-benzothiophene-2-carboxamide
TL;DR: N-(4-tert-butylphenyl)-3-chloro-1-benzothiophene-2-carboxamide (CAS 1004642-98-1) is a chemical compound with molecular formula C19H18ClNOS and molecular weight 343.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-tert-butylphenyl)-3-chloro-1-benzothiophene-2-carboxamide
Also Known As: N-(4-tert-butylphenyl)-3-chloro-1-benzothiophene-2-carboxamide, Benzo[b]thiophene-2-carboxamide, 3-chloro-N-[4-(1,1-dimethylethyl)phenyl]-, N-(4-(TERT-BUTYL)PHENYL)(3-CHLOROBENZO[B]THIOPHEN-2-YL)FORMAMIDE, N-(4-tert-butylphenyl)-3-chloro-benzothiophene-2-carboxamide
| Molecular Formula | C19H18ClNOS |
|---|---|
| Molecular Weight | 343.08 g/mol |
| LogP | 6.1045 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 343.07977 |
| Heavy Atoms | 23 |
| Complexity | 859.20215 |
Chemical Identifiers
| CAS Number | 1004642-98-1 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)NC(=O)C2=C(C3=CC=CC=C3S2)Cl |
Product Overview
N-(4-tert-butylphenyl)-3-chloro-1-benzothiophene-2-carboxamide (CAS 1004642-98-1), with molecular formula C19H18ClNOS and molecular weight 343.08 g/mol. IUPAC: N-(4-tert-butylphenyl)-3-chloro-1-benzothiophene-2-carboxamide.
Chemical Property Profile of N-(4-tert-butylphenyl)-3-chloro-1-benzothiophene-2-carboxamide
Property Insights of N-(4-tert-butylphenyl)-3-chloro-1-benzothiophene-2-carboxamide
The XLogP value of 6.1045 indicates that N-(4-tert-butylphenyl)-3-chloro-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-(4-tert-butylphenyl)-3-chloro-1-benzothiophene-2-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-tert-butylphenyl)-3-chloro-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-(4-tert-butylphenyl)-3-chloro-1-benzothiophene-2-carboxamide?
The CAS number of N-(4-tert-butylphenyl)-3-chloro-1-benzothiophene-2-carboxamide is 1004642-98-1.
What is the molecular formula of N-(4-tert-butylphenyl)-3-chloro-1-benzothiophene-2-carboxamide?
The molecular formula of N-(4-tert-butylphenyl)-3-chloro-1-benzothiophene-2-carboxamide is C19H18ClNOS.
What is the molecular weight of N-(4-tert-butylphenyl)-3-chloro-1-benzothiophene-2-carboxamide?
The molecular weight of N-(4-tert-butylphenyl)-3-chloro-1-benzothiophene-2-carboxamide is 343.08 g/mol.
Where can I buy N-(4-tert-butylphenyl)-3-chloro-1-benzothiophene-2-carboxamide?
You can request a quote for N-(4-tert-butylphenyl)-3-chloro-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-(4-tert-butylphenyl)-3-chloro-1-benzothiophene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-tert-butylphenyl)-3-chloro-1-benzothiophene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.