TL;DR: Cyclohexanamine N,N-bis(2-chloroethyl)phosphorodiamidate (CAS 1566-15-0) is a chemical compound with molecular formula C10H24Cl2N3O2P and molecular weight 319.09833 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
amino-[bis(2-chloroethyl)amino]phosphinic acid;cyclohexanamine
Also Known As: Phosphoramide mustard, Phosphamide mustard, OMF 59, Cyclophosphamide metabolite, Phosphoramide mustard (cyclohexanamine)
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C10H24Cl2N3O2P |
| Molecular Weight | 319.09833 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 92.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 319.09833 Da |
| Heavy Atoms | 18 |
| Complexity | 197.0 |
| SMILES | C1CCC(CC1)N.C(CCl)N(CCCl)P(=O)(N)O |
| InChIKey | BGTIPRUDEMNRIP-UHFFFAOYSA-N |
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclohexanamine N,N-bis(2-chloroethyl)phosphorodiamidate. The TPSA of 92.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Cyclohexanamine N,N-bis(2-chloroethyl)phosphorodiamidate. Following Lipinski's Rule of Five, Cyclohexanamine N,N-bis(2-chloroethyl)phosphorodiamidate 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 Cyclohexanamine N,N-bis(2-chloroethyl)phosphorodiamidate is 1566-15-0.
The molecular formula of Cyclohexanamine N,N-bis(2-chloroethyl)phosphorodiamidate is C10H24Cl2N3O2P.
The molecular weight of Cyclohexanamine N,N-bis(2-chloroethyl)phosphorodiamidate is 319.09833 g/mol.
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