TL;DR: 1,3,2-Dioxaphosphepane, 2-(bis(2-chloroethyl)amino)-, 2-oxide (CAS 78110-26-6) is a chemical compound with molecular formula C8H16Cl2NO3P and molecular weight 275.02448 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N,N-bis(2-chloroethyl)-2-oxo-1,3,2λ5-dioxaphosphepan-2-amine
Also Known As: B 523, N,N-bis(2-chloroethyl)-2-oxo-1,3,2, 1,3,2-DIOXAPHOSPHEPANE, 2-(BIS(2-CHLOROETHYL)AMINO)-, 2-OXIDE, 2-(Bis(2-chloroethyl)amino)-1,3,2-dioxaphosphepane 2-oxide, 2-[Bis(2-chloroethyl)amino]-1,3,2-dioxaphosphepane 2-oxide
| Molecular Formula | C8H16Cl2NO3P |
| Molecular Weight | 275.02448 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 275.02448 Da |
| Heavy Atoms | 15 |
| Complexity | 212.0 |
| SMILES | C1CCOP(=O)(OC1)N(CCCl)CCCl |
| InChIKey | HHHMUGDMJXRHFH-UHFFFAOYSA-N |
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,2-Dioxaphosphepane, 2-(bis(2-chloroethyl)amino)-, 2-oxide. With a topological polar surface area (TPSA) of 38.8 Ų, 1,3,2-Dioxaphosphepane, 2-(bis(2-chloroethyl)amino)-, 2-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,2-Dioxaphosphepane, 2-(bis(2-chloroethyl)amino)-, 2-oxide has 0 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 1,3,2-Dioxaphosphepane, 2-(bis(2-chloroethyl)amino)-, 2-oxide is 78110-26-6.
The molecular formula of 1,3,2-Dioxaphosphepane, 2-(bis(2-chloroethyl)amino)-, 2-oxide is C8H16Cl2NO3P.
The molecular weight of 1,3,2-Dioxaphosphepane, 2-(bis(2-chloroethyl)amino)-, 2-oxide is 275.02448 g/mol.
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