TL;DR: BP Fluor 488 NHS ester, TEA salt (CAS 1025894-97-6) is a chemical compound with molecular formula C25H17N3O13S2 and molecular weight 631.02026 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(3-amino-6-imino-4,5-disulfoxanthen-9-yl)-5-(2,5-dioxopyrrolidin-1-yl)oxycarbonylbenzoic acid
Also Known As: BP Fluor 488 NHS ester, TEA salt, 2-(6-Amino-3-imino-4,5-disulfo-3H-xanthen-9-yl)-5-(((2,5-dioxopyrrolidin-1-yl)oxy)carbonyl)benzoic acid, 2-(3-amino-6-imino-4,5-disulfoxanthen-9-yl)-5-(2,5-dioxopyrrolidin-1-yl)oxycarbonylbenzoic acid, 2-(6-amino-3-imino-4,5-disulfo-xanthen-9-yl)-5-(2,5-dioxopyrrolidin-1-yl)oxycarbonyl-benzoic Acid
| Molecular Formula | C25H17N3O13S2 |
| Molecular Weight | 631.02026 g/mol |
| XLogP | -0.6 |
| Topological Polar Surface Area (TPSA) | 286.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 7 |
| Exact Mass | 631.02026 Da |
| Heavy Atoms | 43 |
| Complexity | 1600.0 |
| SMILES | C1CC(=O)N(C1=O)OC(=O)C2=CC(=C(C=C2)C3=C4C=CC(=N)C(=C4OC5=C3C=CC(=C5S(=O)(=O)O)N)S(=O)(=O)O)C(=O)O |
| InChIKey | FYCGGEVYPRTFDS-UHFFFAOYSA-N |
The XLogP value of -0.6 indicates that BP Fluor 488 NHS ester, TEA salt is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 286.0 Ų indicates high polarity, suggesting BP Fluor 488 NHS ester, TEA salt may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BP Fluor 488 NHS ester, TEA salt has 5 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of BP Fluor 488 NHS ester, TEA salt is 1025894-97-6.
The molecular formula of BP Fluor 488 NHS ester, TEA salt is C25H17N3O13S2.
The molecular weight of BP Fluor 488 NHS ester, TEA salt is 631.02026 g/mol.
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