N,N-Bis(2-chloroethyl)-N''-cyclohexyl-N',N'-dimethylphosphoric triamide
TL;DR: N,N-Bis(2-chloroethyl)-N''-cyclohexyl-N',N'-dimethylphosphoric triamide (CAS 117112-27-3) is a chemical compound with molecular formula C12H26Cl2N3OP and molecular weight 329.11905 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[bis(2-chloroethyl)amino-(dimethylamino)phosphoryl]cyclohexanamine
Also Known As: N,N-Bis(2-chloroethyl)-N''-cyclohexyl-N',N'-dimethylphosphoric triamide, Phosphoric triamide, N,N-bis(2-chloroethyl)-N''-cyclohexyl-N',N'-dimethyl-, N-[bis(2-chloroethyl)amino-(dimethylamino)phosphoryl]cyclohexanamine
Technical Specifications
| Molecular Formula | C12H26Cl2N3OP |
| Molecular Weight | 329.11905 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 35.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 329.11905 Da |
| Heavy Atoms | 19 |
| Complexity | 293.0 |
| SMILES | CN(C)P(=O)(NC1CCCCC1)N(CCCl)CCCl |
| InChIKey | HXMBVGLWFMNZQG-UHFFFAOYSA-N |
Chemical Property Profile of N,N-Bis(2-chloroethyl)-N''-cyclohexyl-N',N'-dimethylphosphoric triamide
Property Insights of N,N-Bis(2-chloroethyl)-N''-cyclohexyl-N',N'-dimethylphosphoric triamide
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-Bis(2-chloroethyl)-N''-cyclohexyl-N',N'-dimethylphosphoric triamide. With a topological polar surface area (TPSA) of 35.6 Ų, N,N-Bis(2-chloroethyl)-N''-cyclohexyl-N',N'-dimethylphosphoric triamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-Bis(2-chloroethyl)-N''-cyclohexyl-N',N'-dimethylphosphoric triamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N,N-Bis(2-chloroethyl)-N''-cyclohexyl-N',N'-dimethylphosphoric triamide?
The CAS number of N,N-Bis(2-chloroethyl)-N''-cyclohexyl-N',N'-dimethylphosphoric triamide is 117112-27-3.
What is the molecular formula of N,N-Bis(2-chloroethyl)-N''-cyclohexyl-N',N'-dimethylphosphoric triamide?
The molecular formula of N,N-Bis(2-chloroethyl)-N''-cyclohexyl-N',N'-dimethylphosphoric triamide is C12H26Cl2N3OP.
What is the molecular weight of N,N-Bis(2-chloroethyl)-N''-cyclohexyl-N',N'-dimethylphosphoric triamide?
The molecular weight of N,N-Bis(2-chloroethyl)-N''-cyclohexyl-N',N'-dimethylphosphoric triamide is 329.11905 g/mol.
Where can I buy N,N-Bis(2-chloroethyl)-N''-cyclohexyl-N',N'-dimethylphosphoric triamide?
You can request a quote for N,N-Bis(2-chloroethyl)-N''-cyclohexyl-N',N'-dimethylphosphoric triamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N,N-Bis(2-chloroethyl)-N''-cyclohexyl-N',N'-dimethylphosphoric triamide?
Yes, CoreyChem provides custom synthesis services for N,N-Bis(2-chloroethyl)-N''-cyclohexyl-N',N'-dimethylphosphoric triamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.