TL;DR: (5-Anilino-9H-benzo(a)phenoxazin-9-ylidene)diethylammonium, nitrate (CAS 16781-78-5) is a chemical compound with molecular formula C26H24N4O4 and molecular weight 456.17975 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5-anilinobenzo[a]phenoxazin-9-ylidene)-diethylazanium nitrate
Also Known As: 1-Cyano-5-hydroxynaphthalene, (5-Anilino-9H-benzo(a)phenoxazin-9-ylidene)diethylammonium, nitrate, Ammonium, (5-anilino-9H-benzo(a)phenoxazin-9-ylidene)diethyl-, nitrate, n-[(5e)-9-(diethylamino)-5h-benzo[a]phenoxazin-5-ylidene]anilinium nitrate, [9-(diethylamino)benzo[a]phenoxazin-5-ylidene]-phenylazanium nitrate
| Molecular Formula | C26H24N4O4 |
| Molecular Weight | 456.17975 g/mol |
| XLogP | 5.4023 |
| Topological Polar Surface Area (TPSA) | 99.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 456.17975 Da |
| Heavy Atoms | 34 |
| Complexity | 771.0 |
| SMILES | CC[N+](=C1C=CC2=NC3=C(C=C(C4=CC=CC=C43)NC5=CC=CC=C5)OC2=C1)CC.[N+](=O)([O-])[O-] |
| InChIKey | UKLGRWPGDFQNLT-UHFFFAOYSA-O |
The XLogP value of 5.4023 indicates that (5-Anilino-9H-benzo(a)phenoxazin-9-ylidene)diethylammonium, nitrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.5 Ų falls within the moderate polarity range, balancing permeability and solubility for (5-Anilino-9H-benzo(a)phenoxazin-9-ylidene)diethylammonium, nitrate. Following Lipinski's Rule of Five, (5-Anilino-9H-benzo(a)phenoxazin-9-ylidene)diethylammonium, nitrate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (5-Anilino-9H-benzo(a)phenoxazin-9-ylidene)diethylammonium, nitrate is 16781-78-5.
The molecular formula of (5-Anilino-9H-benzo(a)phenoxazin-9-ylidene)diethylammonium, nitrate is C26H24N4O4.
The molecular weight of (5-Anilino-9H-benzo(a)phenoxazin-9-ylidene)diethylammonium, nitrate is 456.17975 g/mol.
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