TL;DR: (Z)-methyl 2-(2-((4-bromobenzoyl)imino)-6-methoxybenzo[d]thiazol-3(2H)-yl)acetate (CAS 1006291-28-6) is a chemical compound with molecular formula C18H15BrN2O4S and molecular weight 433.9936 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-[2-(4-bromobenzoyl)imino-6-methoxy-1,3-benzothiazol-3-yl]acetate
Also Known As: (Z)-methyl 2-(2-((4-bromobenzoyl)imino)-6-methoxybenzo[d]thiazol-3(2H)-yl)acetate, F1366-1466, methyl 2-[2-(4-bromobenzoyl)imino-6-methoxy-1,3-benzothiazol-3-yl]acetate, methyl 2-[(2Z)-2-[(4-bromobenzoyl)imino]-6-methoxy-2,3-dihydro-1,3-benzothiazol-3-yl]acetate, Methyl 2-[2-(4-bromobenzoyl)imino-6-methoxy-benzothiazol-3-yl]acetate
| Molecular Formula | C18H15BrN2O4S |
| Molecular Weight | 433.9936 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 93.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 433.9936 Da |
| Heavy Atoms | 26 |
| Complexity | 565.0 |
| SMILES | COC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)Br)S2)CC(=O)OC |
| InChIKey | DNWVOJTYIDAINE-UHFFFAOYSA-N |
The XLogP value of 4.2 indicates that (Z)-methyl 2-(2-((4-bromobenzoyl)imino)-6-methoxybenzo[d]thiazol-3(2H)-yl)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.5 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-methyl 2-(2-((4-bromobenzoyl)imino)-6-methoxybenzo[d]thiazol-3(2H)-yl)acetate. Following Lipinski's Rule of Five, (Z)-methyl 2-(2-((4-bromobenzoyl)imino)-6-methoxybenzo[d]thiazol-3(2H)-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.
The CAS number of (Z)-methyl 2-(2-((4-bromobenzoyl)imino)-6-methoxybenzo[d]thiazol-3(2H)-yl)acetate is 1006291-28-6.
The molecular formula of (Z)-methyl 2-(2-((4-bromobenzoyl)imino)-6-methoxybenzo[d]thiazol-3(2H)-yl)acetate is C18H15BrN2O4S.
The molecular weight of (Z)-methyl 2-(2-((4-bromobenzoyl)imino)-6-methoxybenzo[d]thiazol-3(2H)-yl)acetate is 433.9936 g/mol.
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