TL;DR: 5,5'-Dibromo BAPTA AM (CAS 147504-95-8) is a chemical compound with molecular formula C34H38Br2N2O18 and molecular weight 920.04865 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
acetyloxymethyl 2-[N-[2-(acetyloxymethoxy)-2-oxoethyl]-2-[2-[2-[bis[2-(acetyloxymethoxy)-2-oxoethyl]amino]-4-bromophenoxy]ethoxy]-5-bromoanilino]acetate
Also Known As: 5,5'-Dibromo BAPTA AM, 5,5-DIBROMOBAPTAAM, 5,5/'-Dibromo BAPTA AM, 5,5'-DIBROMOBAPTAAM, 5,5-DIBROMO BAPTA AM
| Molecular Formula | C34H38Br2N2O18 |
| Molecular Weight | 920.04865 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 235.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 31 |
| Exact Mass | 920.04865 Da |
| Heavy Atoms | 56 |
| Complexity | 1170.0 |
| SMILES | CC(=O)OCOC(=O)CN(CC(=O)OCOC(=O)C)C1=C(C=CC(=C1)Br)OCCOC2=C(C=C(C=C2)Br)N(CC(=O)OCOC(=O)C)CC(=O)OCOC(=O)C |
| InChIKey | LSJNEJDFJNDXJC-UHFFFAOYSA-N |
The XLogP value of 4.8 indicates that 5,5'-Dibromo BAPTA AM is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 235.0 Ų indicates high polarity, suggesting 5,5'-Dibromo BAPTA AM may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5,5'-Dibromo BAPTA AM has 0 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 5,5'-Dibromo BAPTA AM is 147504-95-8.
The molecular formula of 5,5'-Dibromo BAPTA AM is C34H38Br2N2O18.
The molecular weight of 5,5'-Dibromo BAPTA AM is 920.04865 g/mol.
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