TL;DR: (Z)-methyl 2-(2-((4-(N,N-diisobutylsulfamoyl)benzoyl)imino)-6-methoxybenzo[d]thiazol-3(2H)-yl)acetate (CAS 1005728-74-4) is a chemical compound with molecular formula C26H33N3O6S2 and molecular weight 547.1811 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-[2-[4-[bis(2-methylpropyl)sulfamoyl]benzoyl]imino-6-methoxy-1,3-benzothiazol-3-yl]acetate
Also Known As: (Z)-methyl 2-(2-((4-(N,N-diisobutylsulfamoyl)benzoyl)imino)-6-methoxybenzo[d]thiazol-3(2H)-yl)acetate, F1366-1505, methyl 2-[2-[4-[bis(2-methylpropyl)sulfamoyl]benzoyl]imino-6-methoxy-1,3-benzothiazol-3-yl]acetate, methyl 2-[(2Z)-2-({4-[bis(2-methylpropyl)sulfamoyl]benzoyl}imino)-6-methoxy-2,3-dihydro-1,3-benzothiazol-3-yl]acetate, Methyl 2-[2-[4-[bis(2-methylpropyl)sulfamoyl]benzoyl]imino-6-methoxy-benzothiazol-3-yl]acetate
| Molecular Formula | C26H33N3O6S2 |
| Molecular Weight | 547.1811 g/mol |
| XLogP | 5.3 |
| Topological Polar Surface Area (TPSA) | 139.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 547.1811 Da |
| Heavy Atoms | 37 |
| Complexity | 915.0 |
| SMILES | CC(C)CN(CC(C)C)S(=O)(=O)C1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)OC)CC(=O)OC |
| InChIKey | UIWBZYVOYMZROO-UHFFFAOYSA-N |
The XLogP value of 5.3 indicates that (Z)-methyl 2-(2-((4-(N,N-diisobutylsulfamoyl)benzoyl)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 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-methyl 2-(2-((4-(N,N-diisobutylsulfamoyl)benzoyl)imino)-6-methoxybenzo[d]thiazol-3(2H)-yl)acetate. Following Lipinski's Rule of Five, (Z)-methyl 2-(2-((4-(N,N-diisobutylsulfamoyl)benzoyl)imino)-6-methoxybenzo[d]thiazol-3(2H)-yl)acetate has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (Z)-methyl 2-(2-((4-(N,N-diisobutylsulfamoyl)benzoyl)imino)-6-methoxybenzo[d]thiazol-3(2H)-yl)acetate is 1005728-74-4.
The molecular formula of (Z)-methyl 2-(2-((4-(N,N-diisobutylsulfamoyl)benzoyl)imino)-6-methoxybenzo[d]thiazol-3(2H)-yl)acetate is C26H33N3O6S2.
The molecular weight of (Z)-methyl 2-(2-((4-(N,N-diisobutylsulfamoyl)benzoyl)imino)-6-methoxybenzo[d]thiazol-3(2H)-yl)acetate is 547.1811 g/mol.
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