TL;DR: Piperazine, 1,4-bis(2-chloroethyl)-, hydrochloride (1:1) (CAS 63980-44-9) is a chemical compound with molecular formula C8H17Cl3N2 and molecular weight 246.04573 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,4-bis(2-chloroethyl)piperazine;hydrochloride
Also Known As: Piperazine, 1,4-bis(2-chloroethyl)-, hydrochloride, N,N'-Bis(2-chloroethyl)-1,4-piperazine hydrochloride, 1,4-bis(2-chloroethyl)piperazine hydrochloride, 1,4-bis(2-chloroethyl)piperazine,hydrochloride, Piperazine,4-bis(2-chloroethyl)-, dihydrochloride
| Molecular Formula | C8H17Cl3N2 |
| Molecular Weight | 246.04573 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 6.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 246.04573 Da |
| Heavy Atoms | 13 |
| Complexity | 99.0 |
| SMILES | C1CN(CCN1CCCl)CCCl.Cl |
| InChIKey | ZWLBXJPWDFNUSC-UHFFFAOYSA-N |
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Piperazine, 1,4-bis(2-chloroethyl)-, hydrochloride (1:1). With a topological polar surface area (TPSA) of 6.5 Ų, Piperazine, 1,4-bis(2-chloroethyl)-, hydrochloride (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Piperazine, 1,4-bis(2-chloroethyl)-, hydrochloride (1:1) has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Piperazine, 1,4-bis(2-chloroethyl)-, hydrochloride (1:1) is 63980-44-9.
The molecular formula of Piperazine, 1,4-bis(2-chloroethyl)-, hydrochloride (1:1) is C8H17Cl3N2.
The molecular weight of Piperazine, 1,4-bis(2-chloroethyl)-, hydrochloride (1:1) is 246.04573 g/mol.
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