TL;DR: 1-Chloro-3-[4-(3-chloro-2-hydroxypropyl)piperazin-1-yl]propan-2-ol (CAS 15336-88-6) is a chemical compound with molecular formula C10H20Cl2N2O2 and molecular weight 270.09018 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-chloro-3-[4-(3-chloro-2-hydroxypropyl)piperazin-1-yl]propan-2-ol
Also Known As: 1,4-Piperazinediethanol der., C(C(O)CCl)N1CCN(CC1)CC(O)CCl, 1, .alpha.,.alpha.'-bis(chloromethyl)-, 1,1'-Piperazine-1,4-diylbis(3-chloropropan-2-ol), 1,4-Piperazinediethanol, alpha1,alpha4-bis(chloromethyl)-
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C10H20Cl2N2O2 |
| Molecular Weight | 270.09018 g/mol |
| XLogP | 0.0 |
| Topological Polar Surface Area (TPSA) | 46.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 270.09018 Da |
| Heavy Atoms | 16 |
| Complexity | 170.0 |
| SMILES | C1CN(CCN1CC(CCl)O)CC(CCl)O |
| InChIKey | LQOMYIZRPNPJDB-UHFFFAOYSA-N |
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Chloro-3-[4-(3-chloro-2-hydroxypropyl)piperazin-1-yl]propan-2-ol. With a topological polar surface area (TPSA) of 46.9 Ų, 1-Chloro-3-[4-(3-chloro-2-hydroxypropyl)piperazin-1-yl]propan-2-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-3-[4-(3-chloro-2-hydroxypropyl)piperazin-1-yl]propan-2-ol has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-Chloro-3-[4-(3-chloro-2-hydroxypropyl)piperazin-1-yl]propan-2-ol is 15336-88-6.
The molecular formula of 1-Chloro-3-[4-(3-chloro-2-hydroxypropyl)piperazin-1-yl]propan-2-ol is C10H20Cl2N2O2.
The molecular weight of 1-Chloro-3-[4-(3-chloro-2-hydroxypropyl)piperazin-1-yl]propan-2-ol is 270.09018 g/mol.
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