![Methyl 2-[2-(4-cyanobenzoyl)imino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate structure](/static/products/132/1322254-96-5.webp)
Methyl 2-[2-(4-cyanobenzoyl)imino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate
TL;DR: Methyl 2-[2-(4-cyanobenzoyl)imino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate (CAS 1322254-96-5) is a chemical compound with molecular formula C20H17N3O3S and molecular weight 379.09906 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-[2-(4-cyanobenzoyl)imino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate
Also Known As: F1820-0356, methyl 2-[2-(4-cyanobenzoyl)imino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate, methyl 2-[(2Z)-2-[(4-cyanobenzoyl)imino]-5,7-dimethyl-2,3-dihydro-1,3-benzothiazol-3-yl]acetate, (Z)-methyl 2-(2-((4-cyanobenzoyl)imino)-5,7-dimethylbenzo[d]thiazol-3(2H)-yl)acetate, methyl [(Z)-2-(p-cyanobenzoylimino)-5,7-dimethyl-2,3-dihydro-1,3-benzothiazolidin-3-yl]acetate
Technical Specifications
| Molecular Formula | C20H17N3O3S |
| Molecular Weight | 379.09906 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 108.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 379.09906 Da |
| Heavy Atoms | 27 |
| Complexity | 663.0 |
| SMILES | CC1=CC(=C2C(=C1)N(C(=NC(=O)C3=CC=C(C=C3)C#N)S2)CC(=O)OC)C |
| InChIKey | PPOBEGNTNHFRCT-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 2-[2-(4-cyanobenzoyl)imino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate
Property Insights of Methyl 2-[2-(4-cyanobenzoyl)imino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate
The XLogP value of 3.9 indicates that Methyl 2-[2-(4-cyanobenzoyl)imino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-[2-(4-cyanobenzoyl)imino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate. Following Lipinski's Rule of Five, Methyl 2-[2-(4-cyanobenzoyl)imino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Methyl 2-[2-(4-cyanobenzoyl)imino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate?
The CAS number of Methyl 2-[2-(4-cyanobenzoyl)imino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate is 1322254-96-5.
What is the molecular formula of Methyl 2-[2-(4-cyanobenzoyl)imino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate?
The molecular formula of Methyl 2-[2-(4-cyanobenzoyl)imino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate is C20H17N3O3S.
What is the molecular weight of Methyl 2-[2-(4-cyanobenzoyl)imino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate?
The molecular weight of Methyl 2-[2-(4-cyanobenzoyl)imino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate is 379.09906 g/mol.
Where can I buy Methyl 2-[2-(4-cyanobenzoyl)imino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate?
You can request a quote for Methyl 2-[2-(4-cyanobenzoyl)imino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 2-[2-(4-cyanobenzoyl)imino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate?
Yes, CoreyChem provides custom synthesis services for Methyl 2-[2-(4-cyanobenzoyl)imino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.