TL;DR: 2-Propanol, 1-[bis(2-hydroxyethyl)amino]-3-(octyloxy)- (CAS 66354-56-1) is a chemical compound with molecular formula C15H33NO4 and molecular weight 291.24097 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[bis(2-hydroxyethyl)amino]-3-octoxypropan-2-ol
Also Known As: 1-[bis amino]-3- propan-2-ol, KST-1B7385, N(CCO)(CCO)CC(O)COCCCCCCCC, 2-Propanol, 1-[bis(2-hydroxyethyl)amino]-3-(octyloxy)-, 1-(Bis(2-hydroxyethyl)amino)-3-(octyloxy)propan-2-ol
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C15H33NO4 |
| Molecular Weight | 291.24097 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 73.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 15 |
| Exact Mass | 291.24097 Da |
| Heavy Atoms | 20 |
| Complexity | 187.0 |
| SMILES | CCCCCCCCOCC(CN(CCO)CCO)O |
| InChIKey | JORAAGBFBOAQTI-UHFFFAOYSA-N |
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propanol, 1-[bis(2-hydroxyethyl)amino]-3-(octyloxy)-. The TPSA of 73.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Propanol, 1-[bis(2-hydroxyethyl)amino]-3-(octyloxy)-. Following Lipinski's Rule of Five, 2-Propanol, 1-[bis(2-hydroxyethyl)amino]-3-(octyloxy)- has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-Propanol, 1-[bis(2-hydroxyethyl)amino]-3-(octyloxy)- is 66354-56-1.
The molecular formula of 2-Propanol, 1-[bis(2-hydroxyethyl)amino]-3-(octyloxy)- is C15H33NO4.
The molecular weight of 2-Propanol, 1-[bis(2-hydroxyethyl)amino]-3-(octyloxy)- is 291.24097 g/mol.
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