TL;DR: Propionamide, N,N'-ethylenebis(2-(bis(2-chloroethyl)amino)-, dihydrochloride (CAS 15561-61-2) is a chemical compound with molecular formula C16H32Cl6N4O2 and molecular weight 522.0656 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[bis(2-chloroethyl)amino]-N-[2-[2-[bis(2-chloroethyl)amino]propanoylamino]ethyl]propanamide;dihydrochloride
Also Known As: N,N'-Ethylenebis(2-(bis(2-chloroethyl)amino)propionamide) dihydrochloride, N,N'-Ethylene-2,2'-bis(bis(2-chloroethyl)amino)bispropionamide dihydrochloride, Propionamide, N,N'-ethylenebis(2-(bis(2-chloroethyl)amino)-, dihydrochloride, 2-[bis(2-chloroethyl)amino]-N-[2-[2-[bis(2-chloroethyl)amino]propanoylamino]ethyl]propanamide dihydrochloride, N,N'-(Ethane-1,2-diyl)bis{2-[bis(2-chloroethyl)amino]propanimidic acid}--hydrogen chloride (1/2)
| Molecular Formula | C16H32Cl6N4O2 |
| Molecular Weight | 522.0656 g/mol |
| XLogP | 2.3986 |
| Topological Polar Surface Area (TPSA) | 64.7 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 15 |
| Exact Mass | 522.0656 Da |
| Heavy Atoms | 28 |
| Complexity | 356.0 |
| SMILES | CC(C(=O)NCCNC(=O)C(C)N(CCCl)CCCl)N(CCCl)CCCl.Cl.Cl |
| InChIKey | WNTYFZJHBQBLKA-UHFFFAOYSA-N |
The XLogP value of 2.3986 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propionamide, N,N'-ethylenebis(2-(bis(2-chloroethyl)amino)-, dihydrochloride. The TPSA of 64.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Propionamide, N,N'-ethylenebis(2-(bis(2-chloroethyl)amino)-, dihydrochloride. Following Lipinski's Rule of Five, Propionamide, N,N'-ethylenebis(2-(bis(2-chloroethyl)amino)-, dihydrochloride has 4 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Propionamide, N,N'-ethylenebis(2-(bis(2-chloroethyl)amino)-, dihydrochloride is 15561-61-2.
The molecular formula of Propionamide, N,N'-ethylenebis(2-(bis(2-chloroethyl)amino)-, dihydrochloride is C16H32Cl6N4O2.
The molecular weight of Propionamide, N,N'-ethylenebis(2-(bis(2-chloroethyl)amino)-, dihydrochloride is 522.0656 g/mol.
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