Methyl 2-(5,7-dimethyl-2-propanoylimino-1,3-benzothiazol-3-yl)acetate
TL;DR: Methyl 2-(5,7-dimethyl-2-propanoylimino-1,3-benzothiazol-3-yl)acetate (CAS 1164495-33-3) is a chemical compound with molecular formula C15H18N2O3S and molecular weight 306.10382 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-(5,7-dimethyl-2-propanoylimino-1,3-benzothiazol-3-yl)acetate
Also Known As: methyl 2-(5,7-dimethyl-2-propanoylimino-1,3-benzothiazol-3-yl)acetate, (Z)-methyl 2-(5,7-dimethyl-2-(propionylimino)benzo[d]thiazol-3(2H)-yl)acetate, F1820-0950, methyl 2-[(2Z)-5,7-dimethyl-2-(propanoylimino)-2,3-dihydro-1,3-benzothiazol-3-yl]acetate
Technical Specifications
| Molecular Formula | C15H18N2O3S |
| Molecular Weight | 306.10382 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 84.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 306.10382 Da |
| Heavy Atoms | 21 |
| Complexity | 452.0 |
| SMILES | CCC(=O)N=C1N(C2=CC(=CC(=C2S1)C)C)CC(=O)OC |
| InChIKey | MIGBOVDDOJXCAD-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 2-(5,7-dimethyl-2-propanoylimino-1,3-benzothiazol-3-yl)acetate
Property Insights of Methyl 2-(5,7-dimethyl-2-propanoylimino-1,3-benzothiazol-3-yl)acetate
The XLogP value of 3.0 indicates that Methyl 2-(5,7-dimethyl-2-propanoylimino-1,3-benzothiazol-3-yl)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-(5,7-dimethyl-2-propanoylimino-1,3-benzothiazol-3-yl)acetate. Following Lipinski's Rule of Five, Methyl 2-(5,7-dimethyl-2-propanoylimino-1,3-benzothiazol-3-yl)acetate has 0 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 Methyl 2-(5,7-dimethyl-2-propanoylimino-1,3-benzothiazol-3-yl)acetate?
The CAS number of Methyl 2-(5,7-dimethyl-2-propanoylimino-1,3-benzothiazol-3-yl)acetate is 1164495-33-3.
What is the molecular formula of Methyl 2-(5,7-dimethyl-2-propanoylimino-1,3-benzothiazol-3-yl)acetate?
The molecular formula of Methyl 2-(5,7-dimethyl-2-propanoylimino-1,3-benzothiazol-3-yl)acetate is C15H18N2O3S.
What is the molecular weight of Methyl 2-(5,7-dimethyl-2-propanoylimino-1,3-benzothiazol-3-yl)acetate?
The molecular weight of Methyl 2-(5,7-dimethyl-2-propanoylimino-1,3-benzothiazol-3-yl)acetate is 306.10382 g/mol.
Where can I buy Methyl 2-(5,7-dimethyl-2-propanoylimino-1,3-benzothiazol-3-yl)acetate?
You can request a quote for Methyl 2-(5,7-dimethyl-2-propanoylimino-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-(5,7-dimethyl-2-propanoylimino-1,3-benzothiazol-3-yl)acetate?
Yes, CoreyChem provides custom synthesis services for Methyl 2-(5,7-dimethyl-2-propanoylimino-1,3-benzothiazol-3-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.