3-Chloro-N-(2,5-dimethylphenyl)-1-benzothiophene-2-carboxamide
TL;DR: 3-Chloro-N-(2,5-dimethylphenyl)-1-benzothiophene-2-carboxamide (CAS 105577-07-9) is a chemical compound with molecular formula C17H14ClNOS and molecular weight 315.04846 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-chloro-N-(2,5-dimethylphenyl)-1-benzothiophene-2-carboxamide
Also Known As: 3-Chloro-N-(2,5-dimethylphenyl)-1-benzothiophene-2-carboxamide, BAS 00776812, 3-chloro-N-(2,5-dimethylphenyl)benzo[b]thiophene-2-carboxamide, benzo[b]thiophene-2-carboxamide,3-chloro-n-(2,5-dimethylphenyl)-, F0095-2450
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C17H14ClNOS |
| Molecular Weight | 315.04846 g/mol |
| XLogP | 5.5 |
| Topological Polar Surface Area (TPSA) | 57.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 315.04846 Da |
| Heavy Atoms | 21 |
| Complexity | 391.0 |
| SMILES | CC1=CC(=C(C=C1)C)NC(=O)C2=C(C3=CC=CC=C3S2)Cl |
| InChIKey | JTCBBZRBHFLTFY-UHFFFAOYSA-N |
Chemical Property Profile of 3-Chloro-N-(2,5-dimethylphenyl)-1-benzothiophene-2-carboxamide
Property Insights of 3-Chloro-N-(2,5-dimethylphenyl)-1-benzothiophene-2-carboxamide
The XLogP value of 5.5 indicates that 3-Chloro-N-(2,5-dimethylphenyl)-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-(2,5-dimethylphenyl)-1-benzothiophene-2-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-N-(2,5-dimethylphenyl)-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-(2,5-dimethylphenyl)-1-benzothiophene-2-carboxamide?
The CAS number of 3-Chloro-N-(2,5-dimethylphenyl)-1-benzothiophene-2-carboxamide is 105577-07-9.
What is the molecular formula of 3-Chloro-N-(2,5-dimethylphenyl)-1-benzothiophene-2-carboxamide?
The molecular formula of 3-Chloro-N-(2,5-dimethylphenyl)-1-benzothiophene-2-carboxamide is C17H14ClNOS.
What is the molecular weight of 3-Chloro-N-(2,5-dimethylphenyl)-1-benzothiophene-2-carboxamide?
The molecular weight of 3-Chloro-N-(2,5-dimethylphenyl)-1-benzothiophene-2-carboxamide is 315.04846 g/mol.
Where can I buy 3-Chloro-N-(2,5-dimethylphenyl)-1-benzothiophene-2-carboxamide?
You can request a quote for 3-Chloro-N-(2,5-dimethylphenyl)-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-(2,5-dimethylphenyl)-1-benzothiophene-2-carboxamide?
Yes, CoreyChem provides custom synthesis services for 3-Chloro-N-(2,5-dimethylphenyl)-1-benzothiophene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.