N-[[4-[bis(2-chloroethyl)amino-phenylmethoxyphosphoryl]piper structure

N-[[4-[bis(2-chloroethyl)amino-phenylmethoxyphosphoryl]piper

TL;DR: N-[[4-[bis(2-chloroethyl)amino-phenylmethoxyphosphoryl]piper (CAS 18228-91-6) is a chemical compound with molecular formula C26H38Cl4N4O4P2 and molecular weight 672.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.

N-[[4-[bis(2-chloroethyl)amino-phenylmethoxyphosphoryl]piperazin-1-yl]-phenylmethoxyphosphoryl]-2-chloro-N-(2-chloroethyl)ethanamine

Also Known As: N-[[4-[bis(2-chloroethyl)amino-phenylmethoxyphosphoryl]piper, N-[[4-[bis(2-chloroethyl)amino-phenylmethoxyphosphoryl]piperazin-1-yl]-phenylmethoxyphosphoryl]-2-chloro-N-(2-chloroethyl)ethanamine, Dibenzyl P,P'-piperazine-1,4-diylbis[N,N-bis(2-chloroethyl)(phosphonamidate)], Phosphonamidic acid,P'-1,4-piperazinediylbis[N,N-bis(2-chloroethyl)-, dibenzyl ester

CAS: 18228-91-6
Molecular Formula C26H38Cl4N4O4P2
Molecular Weight 672.11 g/mol
LogP 4.7
Topological Polar Surface Area 65.6 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 8
Rotatable Bonds 18
Exact Mass 672.11224
Heavy Atoms 40
Complexity 725.0

Chemical Identifiers

CAS Number 18228-91-6
SMILES C1CN(CCN1P(=O)(N(CCCl)CCCl)OCC2=CC=CC=C2)P(=O)(N(CCCl)CCCl)OCC3=CC=CC=C3
InChIKey RYXBFYDAKXJMSU-UHFFFAOYSA-N

Product Overview

N-[[4-[bis(2-chloroethyl)amino-phenylmethoxyphosphoryl]piper (CAS 18228-91-6), with molecular formula C26H38Cl4N4O4P2 and molecular weight 672.11 g/mol. IUPAC: N-[[4-[bis(2-chloroethyl)amino-phenylmethoxyphosphoryl]piperazin-1-yl]-phenylmethoxyphosphoryl]-2-chloro-N-(2-chloroethyl)ethanamine.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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Chemical Property Profile of N-[[4-[bis(2-chloroethyl)amino-phenylmethoxyphosphoryl]piper

XLogP
4.7
TPSA (Topological Polar Surface Area)
65.6
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
8
Rotatable Bonds
18
Heavy Atoms
40
Complexity
725.0
Exact Mass
672.11224
Monoisotopic Mass
672.11224
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of N-[[4-[bis(2-chloroethyl)amino-phenylmethoxyphosphoryl]piper

The XLogP value of 4.7 indicates that N-[[4-[bis(2-chloroethyl)amino-phenylmethoxyphosphoryl]piper is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.6 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[[4-[bis(2-chloroethyl)amino-phenylmethoxyphosphoryl]piper. Following Lipinski's Rule of Five, N-[[4-[bis(2-chloroethyl)amino-phenylmethoxyphosphoryl]piper has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.

Frequently Asked Questions

What is the typical lead time for this product?
Lead time typically ranges from 3-7 business days for in-stock items. For larger quantities or custom orders, please contact us for specific lead times.
Can you provide samples for testing?
Yes, we offer sample quantities for quality testing. Please submit an inquiry with your requirements and we will arrange samples accordingly.
What documentation do you provide with the product?
We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.
Do you ship internationally?
Yes, we ship to most countries worldwide. Shipping costs and delivery times vary by location. Please contact us for specific shipping information.

Frequently Asked Questions

What is the CAS number of N-[[4-[bis(2-chloroethyl)amino-phenylmethoxyphosphoryl]piper?

The CAS number of N-[[4-[bis(2-chloroethyl)amino-phenylmethoxyphosphoryl]piper is 18228-91-6.

What is the molecular formula of N-[[4-[bis(2-chloroethyl)amino-phenylmethoxyphosphoryl]piper?

The molecular formula of N-[[4-[bis(2-chloroethyl)amino-phenylmethoxyphosphoryl]piper is C26H38Cl4N4O4P2.

What is the molecular weight of N-[[4-[bis(2-chloroethyl)amino-phenylmethoxyphosphoryl]piper?

The molecular weight of N-[[4-[bis(2-chloroethyl)amino-phenylmethoxyphosphoryl]piper is 672.11 g/mol.

Where can I buy N-[[4-[bis(2-chloroethyl)amino-phenylmethoxyphosphoryl]piper?

You can request a quote for N-[[4-[bis(2-chloroethyl)amino-phenylmethoxyphosphoryl]piper directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.

Does KEHONG BIO offer custom synthesis for N-[[4-[bis(2-chloroethyl)amino-phenylmethoxyphosphoryl]piper?

Yes, KEHONG BIO provides custom synthesis services for N-[[4-[bis(2-chloroethyl)amino-phenylmethoxyphosphoryl]piper and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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