6-tert-butyl-N-(2-chlorobenzyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
TL;DR: 6-tert-butyl-N-(2-chlorobenzyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CAS 438229-33-5) is a chemical compound with molecular formula C20H24ClNOS and molecular weight 361.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-tert-butyl-N-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: 6-tert-butyl-N-(2-chlorobenzyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 6-tert-butyl-N-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, N-[(2-chlorophenyl)methyl]-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide, [6-(tert-butyl)(4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl)]-N-[(2-chlorophenyl)m ethyl]carboxamide
| Molecular Formula | C20H24ClNOS |
|---|---|
| Molecular Weight | 361.13 g/mol |
| LogP | 5.4825 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 361.1267 |
| Heavy Atoms | 24 |
| Complexity | 744.3374 |
Chemical Identifiers
| CAS Number | 438229-33-5 |
|---|---|
| SMILES | CC(C)(C)C1CCC2=C(C1)SC=C2C(=O)NCC3=CC=CC=C3Cl |
Product Overview
6-tert-butyl-N-(2-chlorobenzyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CAS 438229-33-5), with molecular formula C20H24ClNOS and molecular weight 361.13 g/mol. IUPAC: 6-tert-butyl-N-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of 6-tert-butyl-N-(2-chlorobenzyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Property Insights of 6-tert-butyl-N-(2-chlorobenzyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
The XLogP value of 5.4825 indicates that 6-tert-butyl-N-(2-chlorobenzyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-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, 6-tert-butyl-N-(2-chlorobenzyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-tert-butyl-N-(2-chlorobenzyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-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 6-tert-butyl-N-(2-chlorobenzyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The CAS number of 6-tert-butyl-N-(2-chlorobenzyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is 438229-33-5.
What is the molecular formula of 6-tert-butyl-N-(2-chlorobenzyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The molecular formula of 6-tert-butyl-N-(2-chlorobenzyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is C20H24ClNOS.
What is the molecular weight of 6-tert-butyl-N-(2-chlorobenzyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The molecular weight of 6-tert-butyl-N-(2-chlorobenzyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is 361.13 g/mol.
Where can I buy 6-tert-butyl-N-(2-chlorobenzyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
You can request a quote for 6-tert-butyl-N-(2-chlorobenzyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-tert-butyl-N-(2-chlorobenzyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 6-tert-butyl-N-(2-chlorobenzyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.