TL;DR: 2,5-Diamino-3-nitrobenzeneethanole (CAS 10435-35-5) is a chemical compound with molecular formula C26H33Cl3N2O4 and molecular weight 542.1506 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[2-[4-[2,2,2-trichloro-1-[4-(2-morpholin-4-ylethoxy)phenyl]ethyl]phenoxy]ethyl]morpholine
Also Known As: 2,5-Diamino-3-nitrobenzeneethanole, Benzeneethanole, 2,5-diamino-3-nitro-, 4-Amino-3-nitro-5-beta-hydroxyethylaniline, 4,4'-{2,2'-[4,4'-(2,2,2-trichloro-ethane-1,1-diyl)-diphenoxy]-diethyl}-bis-morpholine, MORPHOLINE,4,4'-[(2,2,2-TRICHLOROETHYLIDENE)BIS(P-PHENYLENEOXYETHYLENE)]DI-
| Molecular Formula | C26H33Cl3N2O4 |
| Molecular Weight | 542.1506 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 542.1506 Da |
| Heavy Atoms | 35 |
| Complexity | 540.0 |
| SMILES | C1COCCN1CCOC2=CC=C(C=C2)C(C3=CC=C(C=C3)OCCN4CCOCC4)C(Cl)(Cl)Cl |
| InChIKey | JDPDDSGLDHCUIE-UHFFFAOYSA-N |
The XLogP value of 4.8 indicates that 2,5-Diamino-3-nitrobenzeneethanole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, 2,5-Diamino-3-nitrobenzeneethanole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-Diamino-3-nitrobenzeneethanole has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2,5-Diamino-3-nitrobenzeneethanole is 10435-35-5.
The molecular formula of 2,5-Diamino-3-nitrobenzeneethanole is C26H33Cl3N2O4.
The molecular weight of 2,5-Diamino-3-nitrobenzeneethanole is 542.1506 g/mol.
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