TL;DR: fura red (CAS 149732-62-7) is a chemical compound with molecular formula C41H44N4O20S and molecular weight 944.227 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-[[6-[bis[2-(acetyloxymethoxy)-2-oxoethyl]amino]-2-[(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]-1-benzofuran-5-yl]oxy]ethoxy]-4-methylanilino]acetate
Also Known As: fura red, Fura Red, AM, Fura 2-TH, AM, Fura 2-TH Tetrapotassium salt, N0001-019401
| Molecular Formula | C41H44N4O20S |
| Molecular Weight | 944.227 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 322.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 23 |
| Rotatable Bonds | 32 |
| Exact Mass | 944.227 Da |
| Heavy Atoms | 66 |
| Complexity | 1750.0 |
| SMILES | CC1=CC(=C(C=C1)N(CC(=O)OCOC(=O)C)CC(=O)OCOC(=O)C)OCCOC2=C(C=C3C(=C2)C=C(O3)C=C4C(=O)NC(=S)N4)N(CC(=O)OCOC(=O)C)CC(=O)OCOC(=O)C |
| InChIKey | MCEXQZRGUKALLT-UHFFFAOYSA-N |
The XLogP value of 4.0 indicates that fura red is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 322.0 Ų indicates high polarity, suggesting fura red may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, fura red has 2 hydrogen bond donor(s) and 23 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of fura red is 149732-62-7.
The molecular formula of fura red is C41H44N4O20S.
The molecular weight of fura red is 944.227 g/mol.
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