TL;DR: Bme-dtta (CAS 141433-28-5) is a chemical compound with molecular formula C46H82N4O14 and molecular weight 914.58276 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[2-[2-[[2-[bis(carboxymethyl)amino]-2-oxoethyl]-(2-tetradecanoyloxyethyl)amino]ethyl-(2-tetradecanoyloxyethyl)amino]acetyl]-(carboxymethyl)amino]acetic acid
Also Known As: Bme-dtta, Gd-Bme-dtta, J1.158.827A, 2-[[2-[2-[[2-[bis(carboxymethyl)amino]-2-oxoethyl]-(2-tetradecanoyloxyethyl)amino]ethyl-(2-tetradecanoyloxyethyl)amino]acetyl]-(carboxymethyl)amino]acetic acid, N(3),N(6)-Bis(2'-myristoyloxyethyl)-1,8-dioxotriethylenetetramine-N,N,N',N'-tetraacetic acid
| Molecular Formula | C46H82N4O14 |
| Molecular Weight | 914.58276 g/mol |
| XLogP | 5.4 |
| Topological Polar Surface Area (TPSA) | 249.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 47 |
| Exact Mass | 914.58276 Da |
| Heavy Atoms | 64 |
| Complexity | 1200.0 |
| SMILES | CCCCCCCCCCCCCC(=O)OCCN(CCN(CCOC(=O)CCCCCCCCCCCCC)CC(=O)N(CC(=O)O)CC(=O)O)CC(=O)N(CC(=O)O)CC(=O)O |
| InChIKey | DPPOUICPKFINOH-UHFFFAOYSA-N |
The XLogP value of 5.4 indicates that Bme-dtta is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 249.0 Ų indicates high polarity, suggesting Bme-dtta may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bme-dtta has 4 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Bme-dtta is 141433-28-5.
The molecular formula of Bme-dtta is C46H82N4O14.
The molecular weight of Bme-dtta is 914.58276 g/mol.
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