![N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-4-nitrobenzamide structure](/static/products/132/1321988-16-2.webp)
N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-4-nitrobenzamide
TL;DR: N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-4-nitrobenzamide (CAS 1321988-16-2) is a chemical compound with molecular formula C16H11N3O5S and molecular weight 357.04193 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-4-nitrobenzamide
Also Known As: F1823-0087, (E)-N-(7-methyl-[1,3]dioxolo[4',5':4,5]benzo[1,2-d]thiazol-6(7H)-ylidene)-4-nitrobenzamide, 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]-4-nitrobenzamide, N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-4-nitrobenzamide
Technical Specifications
| Molecular Formula | C16H11N3O5S |
| Molecular Weight | 357.04193 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 122.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 357.04193 Da |
| Heavy Atoms | 25 |
| Complexity | 587.0 |
| SMILES | CN1C2=CC3=C(C=C2SC1=NC(=O)C4=CC=C(C=C4)[N+](=O)[O-])OCO3 |
| InChIKey | BVYNBMCOSMNBMQ-UHFFFAOYSA-N |
Chemical Property Profile of N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-4-nitrobenzamide
Property Insights of N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-4-nitrobenzamide
The XLogP value of 3.2 indicates that N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-4-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-4-nitrobenzamide. Following Lipinski's Rule of Five, N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-4-nitrobenzamide has 0 hydrogen bond donor(s) and 6 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-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-4-nitrobenzamide?
The CAS number of N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-4-nitrobenzamide is 1321988-16-2.
What is the molecular formula of N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-4-nitrobenzamide?
The molecular formula of N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-4-nitrobenzamide is C16H11N3O5S.
What is the molecular weight of N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-4-nitrobenzamide?
The molecular weight of N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-4-nitrobenzamide is 357.04193 g/mol.
Where can I buy N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-4-nitrobenzamide?
You can request a quote for N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-4-nitrobenzamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-4-nitrobenzamide?
Yes, CoreyChem provides custom synthesis services for N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-4-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.