3-chloro-N-(2-propan-2-ylphenyl)-1-benzothiophene-2-carboxamide
TL;DR: 3-chloro-N-(2-propan-2-ylphenyl)-1-benzothiophene-2-carboxamide (CAS 162090-84-8) is a chemical compound with molecular formula C18H16ClNOS and molecular weight 329.06412 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-chloro-N-(2-propan-2-ylphenyl)-1-benzothiophene-2-carboxamide
Also Known As: MixCom6_000841, DivK1c_005273, CDS1_004233, BIM-0023701.P001, 3-chloro-N-(2-propan-2-ylphenyl)-1-benzothiophene-2-carboxamide
Technical Specifications
| Molecular Formula | C18H16ClNOS |
| Molecular Weight | 329.06412 g/mol |
| XLogP | 5.9 |
| Topological Polar Surface Area (TPSA) | 57.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 329.06412 Da |
| Heavy Atoms | 22 |
| Complexity | 403.0 |
| SMILES | CC(C)C1=CC=CC=C1NC(=O)C2=C(C3=CC=CC=C3S2)Cl |
| InChIKey | ANPNUORBVRAVRJ-UHFFFAOYSA-N |
Chemical Property Profile of 3-chloro-N-(2-propan-2-ylphenyl)-1-benzothiophene-2-carboxamide
Property Insights of 3-chloro-N-(2-propan-2-ylphenyl)-1-benzothiophene-2-carboxamide
The XLogP value of 5.9 indicates that 3-chloro-N-(2-propan-2-ylphenyl)-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 57.3 Ų, 3-chloro-N-(2-propan-2-ylphenyl)-1-benzothiophene-2-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-chloro-N-(2-propan-2-ylphenyl)-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
What is the CAS number of 3-chloro-N-(2-propan-2-ylphenyl)-1-benzothiophene-2-carboxamide?
The CAS number of 3-chloro-N-(2-propan-2-ylphenyl)-1-benzothiophene-2-carboxamide is 162090-84-8.
What is the molecular formula of 3-chloro-N-(2-propan-2-ylphenyl)-1-benzothiophene-2-carboxamide?
The molecular formula of 3-chloro-N-(2-propan-2-ylphenyl)-1-benzothiophene-2-carboxamide is C18H16ClNOS.
What is the molecular weight of 3-chloro-N-(2-propan-2-ylphenyl)-1-benzothiophene-2-carboxamide?
The molecular weight of 3-chloro-N-(2-propan-2-ylphenyl)-1-benzothiophene-2-carboxamide is 329.06412 g/mol.
Where can I buy 3-chloro-N-(2-propan-2-ylphenyl)-1-benzothiophene-2-carboxamide?
You can request a quote for 3-chloro-N-(2-propan-2-ylphenyl)-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-(2-propan-2-ylphenyl)-1-benzothiophene-2-carboxamide?
Yes, CoreyChem provides custom synthesis services for 3-chloro-N-(2-propan-2-ylphenyl)-1-benzothiophene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.