3-chloro-N,N-bis(2-methylpropyl)-1-benzothiophene-2-carboxamide
TL;DR: 3-chloro-N,N-bis(2-methylpropyl)-1-benzothiophene-2-carboxamide (CAS 544426-67-7) is a chemical compound with molecular formula C17H22ClNOS and molecular weight 323.11105 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-chloro-N,N-bis(2-methylpropyl)-1-benzothiophene-2-carboxamide
Also Known As: 3-chloro-N,N-bis(2-methylpropyl)-1-benzothiophene-2-carboxamide, 3-chloro-N,N-diisobutyl-1-benzothiophene-2-carboxamide, (3-chlorobenzo[b]thiophen-2-yl)-N,N-bis(2-methylpropyl)carboxamide
Technical Specifications
| Molecular Formula | C17H22ClNOS |
| Molecular Weight | 323.11105 g/mol |
| XLogP | 6.0 |
| Topological Polar Surface Area (TPSA) | 48.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 323.11105 Da |
| Heavy Atoms | 21 |
| Complexity | 351.0 |
| SMILES | CC(C)CN(CC(C)C)C(=O)C1=C(C2=CC=CC=C2S1)Cl |
| InChIKey | DZRZMRBZSNQHSE-UHFFFAOYSA-N |
Chemical Property Profile of 3-chloro-N,N-bis(2-methylpropyl)-1-benzothiophene-2-carboxamide
Property Insights of 3-chloro-N,N-bis(2-methylpropyl)-1-benzothiophene-2-carboxamide
The XLogP value of 6.0 indicates that 3-chloro-N,N-bis(2-methylpropyl)-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 48.6 Ų, 3-chloro-N,N-bis(2-methylpropyl)-1-benzothiophene-2-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-chloro-N,N-bis(2-methylpropyl)-1-benzothiophene-2-carboxamide has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 3-chloro-N,N-bis(2-methylpropyl)-1-benzothiophene-2-carboxamide?
The CAS number of 3-chloro-N,N-bis(2-methylpropyl)-1-benzothiophene-2-carboxamide is 544426-67-7.
What is the molecular formula of 3-chloro-N,N-bis(2-methylpropyl)-1-benzothiophene-2-carboxamide?
The molecular formula of 3-chloro-N,N-bis(2-methylpropyl)-1-benzothiophene-2-carboxamide is C17H22ClNOS.
What is the molecular weight of 3-chloro-N,N-bis(2-methylpropyl)-1-benzothiophene-2-carboxamide?
The molecular weight of 3-chloro-N,N-bis(2-methylpropyl)-1-benzothiophene-2-carboxamide is 323.11105 g/mol.
Where can I buy 3-chloro-N,N-bis(2-methylpropyl)-1-benzothiophene-2-carboxamide?
You can request a quote for 3-chloro-N,N-bis(2-methylpropyl)-1-benzothiophene-2-carboxamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-chloro-N,N-bis(2-methylpropyl)-1-benzothiophene-2-carboxamide?
Yes, CoreyChem provides custom synthesis services for 3-chloro-N,N-bis(2-methylpropyl)-1-benzothiophene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.