TL;DR: (4-benzoyl-2-nitrophenyl) 9H-fluoren-9-ylmethyl carbonate (CAS 127390-67-4) is a chemical compound with molecular formula C28H19NO6 and molecular weight 465.12125 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-benzoyl-2-nitrophenyl) 9H-fluoren-9-ylmethyl carbonate
Also Known As: (4-benzoyl-2-nitrophenyl) 9H-fluoren-9-ylmethyl carbonate, (4-benzoyl-2-nitro-phenyl) 9H-fluoren-9-ylmethyl Carbonate, Carbonic acid, 4-benzoyl-2-nitrophenyl 9H-fluoren-9-ylmethyl ester, homopolymer
| Molecular Formula | C28H19NO6 |
| Molecular Weight | 465.12125 g/mol |
| XLogP | 6.4 |
| Topological Polar Surface Area (TPSA) | 98.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 465.12125 Da |
| Heavy Atoms | 35 |
| Complexity | 752.0 |
| SMILES | C1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)OC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)[N+](=O)[O-] |
| InChIKey | AQXAJXPWOXUGQN-UHFFFAOYSA-N |
The XLogP value of 6.4 indicates that (4-benzoyl-2-nitrophenyl) 9H-fluoren-9-ylmethyl carbonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-benzoyl-2-nitrophenyl) 9H-fluoren-9-ylmethyl carbonate. Following Lipinski's Rule of Five, (4-benzoyl-2-nitrophenyl) 9H-fluoren-9-ylmethyl carbonate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (4-benzoyl-2-nitrophenyl) 9H-fluoren-9-ylmethyl carbonate is 127390-67-4.
The molecular formula of (4-benzoyl-2-nitrophenyl) 9H-fluoren-9-ylmethyl carbonate is C28H19NO6.
The molecular weight of (4-benzoyl-2-nitrophenyl) 9H-fluoren-9-ylmethyl carbonate is 465.12125 g/mol.
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