N-(3-chloro-4-cyano-5-isothiazolyl)-3-methylbenzenecarboxamide
TL;DR: N-(3-chloro-4-cyano-5-isothiazolyl)-3-methylbenzenecarboxamide (CAS 159978-14-0) is a chemical compound with molecular formula C12H8ClN3OS and molecular weight 277.00766 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(3-chloro-4-cyano-1,2-thiazol-5-yl)-3-methylbenzamide
Also Known As: N-(3-chloro-4-cyano-1,2-thiazol-5-yl)-3-methylbenzamide, N-(3-chloro-4-cyano-5-isothiazolyl)-3-methylbenzenecarboxamide, N-(3-Chloro-4-cyano-5-isothiazolyl)-3-methylbenzamide, N-(3-chloro-4-cyano-isothiazol-5-yl)-3-methyl-benzamide
Technical Specifications
| Molecular Formula | C12H8ClN3OS |
| Molecular Weight | 277.00766 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 94.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 277.00766 Da |
| Heavy Atoms | 18 |
| Complexity | 370.0 |
| SMILES | CC1=CC(=CC=C1)C(=O)NC2=C(C(=NS2)Cl)C#N |
| InChIKey | WXOWFPOFTCFSOO-UHFFFAOYSA-N |
Chemical Property Profile of N-(3-chloro-4-cyano-5-isothiazolyl)-3-methylbenzenecarboxamide
Property Insights of N-(3-chloro-4-cyano-5-isothiazolyl)-3-methylbenzenecarboxamide
The XLogP value of 3.7 indicates that N-(3-chloro-4-cyano-5-isothiazolyl)-3-methylbenzenecarboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-chloro-4-cyano-5-isothiazolyl)-3-methylbenzenecarboxamide. Following Lipinski's Rule of Five, N-(3-chloro-4-cyano-5-isothiazolyl)-3-methylbenzenecarboxamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-(3-chloro-4-cyano-5-isothiazolyl)-3-methylbenzenecarboxamide?
The CAS number of N-(3-chloro-4-cyano-5-isothiazolyl)-3-methylbenzenecarboxamide is 159978-14-0.
What is the molecular formula of N-(3-chloro-4-cyano-5-isothiazolyl)-3-methylbenzenecarboxamide?
The molecular formula of N-(3-chloro-4-cyano-5-isothiazolyl)-3-methylbenzenecarboxamide is C12H8ClN3OS.
What is the molecular weight of N-(3-chloro-4-cyano-5-isothiazolyl)-3-methylbenzenecarboxamide?
The molecular weight of N-(3-chloro-4-cyano-5-isothiazolyl)-3-methylbenzenecarboxamide is 277.00766 g/mol.
Where can I buy N-(3-chloro-4-cyano-5-isothiazolyl)-3-methylbenzenecarboxamide?
You can request a quote for N-(3-chloro-4-cyano-5-isothiazolyl)-3-methylbenzenecarboxamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(3-chloro-4-cyano-5-isothiazolyl)-3-methylbenzenecarboxamide?
Yes, CoreyChem provides custom synthesis services for N-(3-chloro-4-cyano-5-isothiazolyl)-3-methylbenzenecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.