TL;DR: 5-[Bromoacetamido]tetramethylrhodamine (CAS 166442-38-2) is a chemical compound with molecular formula C26H24BrN3O4 and molecular weight 521.09503 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[3',6'-bis(dimethylamino)-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl]-2-bromoacetamide
Also Known As: 5-[Bromoacetamido]tetramethylrhodamine, 5-[Bromoacetamido]tetramethyl Rhodamine, N-[3',6'-bis(dimethylamino)-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl]-2-bromoacetamide, Acetamide, N-[3',6'-bis(dimethylamino)-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-5-yl]-2-bromo-, N-[3',6'-Bis(dimethylamino)-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-5-yl]-2-bromoacetamide
| Molecular Formula | C26H24BrN3O4 |
| Molecular Weight | 521.09503 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 71.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 521.09503 Da |
| Heavy Atoms | 34 |
| Complexity | 760.0 |
| SMILES | CN(C)C1=CC2=C(C=C1)C3(C4=C(C=C(C=C4)NC(=O)CBr)C(=O)O3)C5=C(O2)C=C(C=C5)N(C)C |
| InChIKey | ZUOXEKVATBJGPS-UHFFFAOYSA-N |
The XLogP value of 4.3 indicates that 5-[Bromoacetamido]tetramethylrhodamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[Bromoacetamido]tetramethylrhodamine. Following Lipinski's Rule of Five, 5-[Bromoacetamido]tetramethylrhodamine has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 5-[Bromoacetamido]tetramethylrhodamine is 166442-38-2.
The molecular formula of 5-[Bromoacetamido]tetramethylrhodamine is C26H24BrN3O4.
The molecular weight of 5-[Bromoacetamido]tetramethylrhodamine is 521.09503 g/mol.
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