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 329.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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, RefChem:1090381
| Molecular Formula | C12H26Cl2N3OP |
|---|---|
| Molecular Weight | 329.12 g/mol |
| LogP | 3.358 |
| Topological Polar Surface Area | 35.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 8 |
| Exact Mass | 329.11905 |
| Heavy Atoms | 19 |
| Complexity | 292.6991 |
Chemical Identifiers
| CAS Number | 117112-27-3 |
|---|---|
| SMILES | CN(C)P(=O)(NC1CCCCC1)N(CCCl)CCCl |
Product Overview
N,N-Bis(2-chloroethyl)-N''-cyclohexyl-N',N'-dimethylphosphoric triamide (CAS 117112-27-3), with molecular formula C12H26Cl2N3OP and molecular weight 329.12 g/mol. IUPAC: N-[bis(2-chloroethyl)amino-(dimethylamino)phosphoryl]cyclohexanamine.
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 3.358 indicates that N,N-Bis(2-chloroethyl)-N''-cyclohexyl-N',N'-dimethylphosphoric triamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.58 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 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
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 329.12 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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-Bis(2-chloroethyl)-N''-cyclohexyl-N',N'-dimethylphosphoric triamide?
Yes, KEHONG BIO 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.