N-CE-N'-Ppee monohydrochloride
TL;DR: N-CE-N'-Ppee monohydrochloride (CAS 53180-75-9) is a chemical compound with molecular formula C7H19Cl2N2O4P and molecular weight 296.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(2-chloroethylamino)ethylamino]propyl dihydrogen phosphate;hydrochloride
Also Known As: N-CE-N'-Ppee monohydrochloride, N-(2-Chloroethyl)-N'-(3-phosphopropyl)ethylenediamine, 3-({2-[(2-chloroethyl)amino]ethyl}amino)propyl dihydrogen phosphate hydrochloride(1:1), N-(2-Chloroethyl)-N'-(3-phosphatopropyl)ethylenediaminehydrochloride, 1-Propanol, 3-((2-((2-chloroethyl)amino)ethyl)amino)-, dihydrogen phosphate (ester), monohydrochloride
| Molecular Formula | C7H19Cl2N2O4P |
|---|---|
| Molecular Weight | 296.05 g/mol |
| LogP | 0.3256 |
| Topological Polar Surface Area | 90.8 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 296.04596 |
| Heavy Atoms | 16 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 53180-75-9 |
|---|---|
| SMILES | C(CNCCNCCCl)COP(=O)(O)O.Cl |
| InChIKey | LUASBHXEWCQULV-UHFFFAOYSA-N |
Product Overview
N-CE-N'-Ppee monohydrochloride (CAS 53180-75-9), with molecular formula C7H19Cl2N2O4P and molecular weight 296.05 g/mol. IUPAC: 3-[2-(2-chloroethylamino)ethylamino]propyl dihydrogen phosphate;hydrochloride.
Chemical Property Profile of N-CE-N'-Ppee monohydrochloride
Property Insights of N-CE-N'-Ppee monohydrochloride
The XLogP value of 0.3256 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-CE-N'-Ppee monohydrochloride. The TPSA of 90.8 Ų falls within the moderate polarity range, balancing permeability and solubility for N-CE-N'-Ppee monohydrochloride. Following Lipinski's Rule of Five, N-CE-N'-Ppee monohydrochloride has 5 hydrogen bond donor(s) and 6 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-CE-N'-Ppee monohydrochloride?
The CAS number of N-CE-N'-Ppee monohydrochloride is 53180-75-9.
What is the molecular formula of N-CE-N'-Ppee monohydrochloride?
The molecular formula of N-CE-N'-Ppee monohydrochloride is C7H19Cl2N2O4P.
What is the molecular weight of N-CE-N'-Ppee monohydrochloride?
The molecular weight of N-CE-N'-Ppee monohydrochloride is 296.05 g/mol.
Where can I buy N-CE-N'-Ppee monohydrochloride?
You can request a quote for N-CE-N'-Ppee monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-CE-N'-Ppee monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for N-CE-N'-Ppee monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.