TL;DR: 10-(3,5-Di-tert-butyl-4-hydroxybenzoyl)-3,7-di(diethylamino)phenoxazine (CAS 114766-08-4) is a chemical compound with molecular formula C35H49N3O3 and molecular weight 559.3774 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(4aR,10aR)-3,8-bis(diethylamino)-4a,10a-dihydrophenoxazin-10-yl]-(3,5-ditert-butyl-4-hydroxyphenyl)methanone
Also Known As: 10-(3,5-Di-tert-butyl-4-hydroxybenzoyl)-3,7-di(diethylamino)phenoxazine, 10H-Phenoxazine-3,7-diamine, 10-(3,5-bis(1,1-dimethylethyl)-4-hydroxybenzoyl)-N,N,N',N'-tetraethyl-, Methanone, (3,7-bis(diethylamino)-10H-phenoxazin-10-yl)(3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)-, [(4aR,10aR)-3,8-bis(diethylamino)-4a,10a-dihydrophenoxazin-10-yl]-(3,5-ditert-butyl-4-hydroxyphenyl)methanone, 10H-Phenoxazine-3,7-diamine, 10-[3,5-bis(1,1-dimethylethyl)-4-hydroxybenzoyl]-N,N,N',N'-tetraethyl-
| Molecular Formula | C35H49N3O3 |
| Molecular Weight | 559.3774 g/mol |
| XLogP | 8.2 |
| Topological Polar Surface Area (TPSA) | 56.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 559.3774 Da |
| Heavy Atoms | 41 |
| Complexity | 931.0 |
| SMILES | CCN(CC)C1=C[C@@H]2[C@@H](C=C1)N(C3=C(O2)C=CC(=C3)N(CC)CC)C(=O)C4=CC(=C(C(=C4)C(C)(C)C)O)C(C)(C)C |
| InChIKey | UDFBGCQIOISUBC-GRKNLSHJSA-N |
The XLogP value of 8.2 indicates that 10-(3,5-Di-tert-butyl-4-hydroxybenzoyl)-3,7-di(diethylamino)phenoxazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.3 Ų, 10-(3,5-Di-tert-butyl-4-hydroxybenzoyl)-3,7-di(diethylamino)phenoxazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 10-(3,5-Di-tert-butyl-4-hydroxybenzoyl)-3,7-di(diethylamino)phenoxazine has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 10-(3,5-Di-tert-butyl-4-hydroxybenzoyl)-3,7-di(diethylamino)phenoxazine is 114766-08-4.
The molecular formula of 10-(3,5-Di-tert-butyl-4-hydroxybenzoyl)-3,7-di(diethylamino)phenoxazine is C35H49N3O3.
The molecular weight of 10-(3,5-Di-tert-butyl-4-hydroxybenzoyl)-3,7-di(diethylamino)phenoxazine is 559.3774 g/mol.
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