Ethylenediamine, N-(2-chloroethyl)-N,N',N'-tribenzyl-, hydrochloride
TL;DR: Ethylenediamine, N-(2-chloroethyl)-N,N',N'-tribenzyl-, hydrochloride (CAS 70145-79-8) is a chemical compound with molecular formula C25H30Cl2N2 and molecular weight 428.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl-(2-chloroethyl)-[2-(dibenzylamino)ethyl]azanium chloride
Also Known As: N-(2-Chloroethyl)-N,N',N'-tribenzylethylenediamine hydrochloride, ETHYLENEDIAMINE, N-(2-CHLOROETHYL)-N,N',N'-TRIBENZYL-, HYDROCHLORIDE, benzyl-(2-chloroethyl)-[2-(dibenzylamino)ethyl]azanium chloride, RefChem:1085217
| Molecular Formula | C25H30Cl2N2 |
|---|---|
| Molecular Weight | 428.18 g/mol |
| LogP | 1.02 |
| Topological Polar Surface Area | 7.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 11 |
| Exact Mass | 428.17862 |
| Heavy Atoms | 29 |
| Complexity | 364.0 |
Chemical Identifiers
| CAS Number | 70145-79-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C[NH+](CCN(CC2=CC=CC=C2)CC3=CC=CC=C3)CCCl.[Cl-] |
| InChIKey | JSPIYOJHJCMJBM-UHFFFAOYSA-N |
Product Overview
Ethylenediamine, N-(2-chloroethyl)-N,N',N'-tribenzyl-, hydrochloride (CAS 70145-79-8), with molecular formula C25H30Cl2N2 and molecular weight 428.18 g/mol. IUPAC: benzyl-(2-chloroethyl)-[2-(dibenzylamino)ethyl]azanium chloride.
Chemical Property Profile of Ethylenediamine, N-(2-chloroethyl)-N,N',N'-tribenzyl-, hydrochloride
Property Insights of Ethylenediamine, N-(2-chloroethyl)-N,N',N'-tribenzyl-, hydrochloride
The XLogP value of 1.02 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethylenediamine, N-(2-chloroethyl)-N,N',N'-tribenzyl-, hydrochloride. With a topological polar surface area (TPSA) of 7.7 Ų, Ethylenediamine, N-(2-chloroethyl)-N,N',N'-tribenzyl-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethylenediamine, N-(2-chloroethyl)-N,N',N'-tribenzyl-, hydrochloride has 1 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 Ethylenediamine, N-(2-chloroethyl)-N,N',N'-tribenzyl-, hydrochloride?
The CAS number of Ethylenediamine, N-(2-chloroethyl)-N,N',N'-tribenzyl-, hydrochloride is 70145-79-8.
What is the molecular formula of Ethylenediamine, N-(2-chloroethyl)-N,N',N'-tribenzyl-, hydrochloride?
The molecular formula of Ethylenediamine, N-(2-chloroethyl)-N,N',N'-tribenzyl-, hydrochloride is C25H30Cl2N2.
What is the molecular weight of Ethylenediamine, N-(2-chloroethyl)-N,N',N'-tribenzyl-, hydrochloride?
The molecular weight of Ethylenediamine, N-(2-chloroethyl)-N,N',N'-tribenzyl-, hydrochloride is 428.18 g/mol.
Where can I buy Ethylenediamine, N-(2-chloroethyl)-N,N',N'-tribenzyl-, hydrochloride?
You can request a quote for Ethylenediamine, N-(2-chloroethyl)-N,N',N'-tribenzyl-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethylenediamine, N-(2-chloroethyl)-N,N',N'-tribenzyl-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Ethylenediamine, N-(2-chloroethyl)-N,N',N'-tribenzyl-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.