TL;DR: 4-chloro-N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)benzamide (CAS 1321955-67-2) is a chemical compound with molecular formula C16H11ClN2O3S and molecular weight 346.01788 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-chloro-N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)benzamide
Also Known As: F1823-0051, 4-chloro-N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)benzamide, (E)-4-chloro-N-(7-methyl-[1,3]dioxolo[4',5':4,5]benzo[1,2-d]thiazol-6(7H)-ylidene)benzamide, 4-chloro-N-[(11E)-12-methyl-4,6-dioxa-10-thia-12-azatricyclo[7.3.0.0^{3,7}]dodeca-1(9),2,7-trien-11-ylidene]benzamide
| Molecular Formula | C16H11ClN2O3S |
| Molecular Weight | 346.01788 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 76.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 346.01788 Da |
| Heavy Atoms | 23 |
| Complexity | 510.0 |
| SMILES | CN1C2=CC3=C(C=C2SC1=NC(=O)C4=CC=C(C=C4)Cl)OCO3 |
| InChIKey | ZXKFKQZQYKBJJJ-UHFFFAOYSA-N |
The XLogP value of 4.0 indicates that 4-chloro-N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-chloro-N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)benzamide. Following Lipinski's Rule of Five, 4-chloro-N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)benzamide has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4-chloro-N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)benzamide is 1321955-67-2.
The molecular formula of 4-chloro-N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)benzamide is C16H11ClN2O3S.
The molecular weight of 4-chloro-N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)benzamide is 346.01788 g/mol.
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