N,N-Bis(2-chloroethyl)-N'-cyclohexyl-N''-(2-hydroxyethyl)phosphoric triamide
TL;DR: N,N-Bis(2-chloroethyl)-N'-cyclohexyl-N''-(2-hydroxyethyl)phosphoric triamide (CAS 117112-33-1) is a chemical compound with molecular formula C12H26Cl2N3O2P and molecular weight 345.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[bis(2-chloroethyl)amino-(cyclohexylamino)phosphoryl]amino]ethanol
Also Known As: N,N-Bis(2-chloroethyl)-N'-cyclohexyl-N''-(2-hydroxyethyl)phosphoric triamide, Phosphoric triamide, N,N-bis(2-chloroethyl)-N'-cyclohexyl-N''-(2-hydroxyethyl)-, 2-[[bis(2-chloroethyl)amino-(cyclohexylamino)phosphoryl]amino]ethanol, RefChem:358755
| Molecular Formula | C12H26Cl2N3O2P |
|---|---|
| Molecular Weight | 345.11 g/mol |
| LogP | 2.3783 |
| Topological Polar Surface Area | 64.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 10 |
| Exact Mass | 345.11398 |
| Heavy Atoms | 20 |
| Complexity | 298.42703 |
Chemical Identifiers
| CAS Number | 117112-33-1 |
|---|---|
| SMILES | C1CCC(CC1)NP(=O)(NCCO)N(CCCl)CCCl |
Product Overview
N,N-Bis(2-chloroethyl)-N'-cyclohexyl-N''-(2-hydroxyethyl)phosphoric triamide (CAS 117112-33-1), with molecular formula C12H26Cl2N3O2P and molecular weight 345.11 g/mol. IUPAC: 2-[[bis(2-chloroethyl)amino-(cyclohexylamino)phosphoryl]amino]ethanol.
Chemical Property Profile of N,N-Bis(2-chloroethyl)-N'-cyclohexyl-N''-(2-hydroxyethyl)phosphoric triamide
Property Insights of N,N-Bis(2-chloroethyl)-N'-cyclohexyl-N''-(2-hydroxyethyl)phosphoric triamide
The XLogP value of 2.3783 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-Bis(2-chloroethyl)-N'-cyclohexyl-N''-(2-hydroxyethyl)phosphoric triamide. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N-Bis(2-chloroethyl)-N'-cyclohexyl-N''-(2-hydroxyethyl)phosphoric triamide. Following Lipinski's Rule of Five, N,N-Bis(2-chloroethyl)-N'-cyclohexyl-N''-(2-hydroxyethyl)phosphoric triamide has 3 hydrogen bond donor(s) and 2 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''-(2-hydroxyethyl)phosphoric triamide?
The CAS number of N,N-Bis(2-chloroethyl)-N'-cyclohexyl-N''-(2-hydroxyethyl)phosphoric triamide is 117112-33-1.
What is the molecular formula of N,N-Bis(2-chloroethyl)-N'-cyclohexyl-N''-(2-hydroxyethyl)phosphoric triamide?
The molecular formula of N,N-Bis(2-chloroethyl)-N'-cyclohexyl-N''-(2-hydroxyethyl)phosphoric triamide is C12H26Cl2N3O2P.
What is the molecular weight of N,N-Bis(2-chloroethyl)-N'-cyclohexyl-N''-(2-hydroxyethyl)phosphoric triamide?
The molecular weight of N,N-Bis(2-chloroethyl)-N'-cyclohexyl-N''-(2-hydroxyethyl)phosphoric triamide is 345.11 g/mol.
Where can I buy N,N-Bis(2-chloroethyl)-N'-cyclohexyl-N''-(2-hydroxyethyl)phosphoric triamide?
You can request a quote for N,N-Bis(2-chloroethyl)-N'-cyclohexyl-N''-(2-hydroxyethyl)phosphoric 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''-(2-hydroxyethyl)phosphoric triamide?
Yes, KEHONG BIO provides custom synthesis services for N,N-Bis(2-chloroethyl)-N'-cyclohexyl-N''-(2-hydroxyethyl)phosphoric triamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.