![4-[[3-[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-2-(4-fluorophenyl)-1,3-diazinan-1-yl]methyl]-N,N-bis(2-chloroethyl)aniline structure](/static/products/1776/17761-53-4.webp)
4-[[3-[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-2-(4-fluorophenyl)-1,3-diazinan-1-yl]methyl]-N,N-bis(2-chloroethyl)aniline
TL;DR: 4-[[3-[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-2-(4-fluorophenyl)-1,3-diazinan-1-yl]methyl]-N,N-bis(2-chloroethyl)aniline (CAS 17761-53-4) is a chemical compound with molecular formula C32H39Cl4FN4 and molecular weight 638.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[3-[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-2-(4-fluorophenyl)-1,3-diazinan-1-yl]methyl]-N,N-bis(2-chloroethyl)aniline
Also Known As: 4-[[3-[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-2-(4-fluorophenyl)-1,3-diazinan-1-yl]methyl]-N,N-bis(2-chloroethyl)aniline, 4-[[3-[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-2-(4-fluor, 4,4'-{[2-(4-Fluorophenyl)-1,3-diazinane-1,3-diyl]bis(methylene)}bis[N,N-bis(2-chloroethyl)aniline]
| Molecular Formula | C32H39Cl4FN4 |
|---|---|
| Molecular Weight | 638.19 g/mol |
| LogP | 7.8 |
| Topological Polar Surface Area | 13.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 15 |
| Exact Mass | 638.1913 |
| Heavy Atoms | 41 |
| Complexity | 641.0 |
Chemical Identifiers
| CAS Number | 17761-53-4 |
|---|---|
| SMILES | C1CN(C(N(C1)CC2=CC=C(C=C2)N(CCCl)CCCl)C3=CC=C(C=C3)F)CC4=CC=C(C=C4)N(CCCl)CCCl |
| InChIKey | OPCKUFJENCUMHR-UHFFFAOYSA-N |
Product Overview
4-[[3-[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-2-(4-fluorophenyl)-1,3-diazinan-1-yl]methyl]-N,N-bis(2-chloroethyl)aniline (CAS 17761-53-4), with molecular formula C32H39Cl4FN4 and molecular weight 638.19 g/mol. IUPAC: 4-[[3-[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-2-(4-fluorophenyl)-1,3-diazinan-1-yl]methyl]-N,N-bis(2-chloroethyl)aniline.
Chemical Property Profile of 4-[[3-[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-2-(4-fluorophenyl)-1,3-diazinan-1-yl]methyl]-N,N-bis(2-chloroethyl)aniline
Property Insights of 4-[[3-[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-2-(4-fluorophenyl)-1,3-diazinan-1-yl]methyl]-N,N-bis(2-chloroethyl)aniline
The XLogP value of 7.8 indicates that 4-[[3-[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-2-(4-fluorophenyl)-1,3-diazinan-1-yl]methyl]-N,N-bis(2-chloroethyl)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 13.0 Ų, 4-[[3-[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-2-(4-fluorophenyl)-1,3-diazinan-1-yl]methyl]-N,N-bis(2-chloroethyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[[3-[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-2-(4-fluorophenyl)-1,3-diazinan-1-yl]methyl]-N,N-bis(2-chloroethyl)aniline has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-[[3-[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-2-(4-fluorophenyl)-1,3-diazinan-1-yl]methyl]-N,N-bis(2-chloroethyl)aniline?
The CAS number of 4-[[3-[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-2-(4-fluorophenyl)-1,3-diazinan-1-yl]methyl]-N,N-bis(2-chloroethyl)aniline is 17761-53-4.
What is the molecular formula of 4-[[3-[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-2-(4-fluorophenyl)-1,3-diazinan-1-yl]methyl]-N,N-bis(2-chloroethyl)aniline?
The molecular formula of 4-[[3-[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-2-(4-fluorophenyl)-1,3-diazinan-1-yl]methyl]-N,N-bis(2-chloroethyl)aniline is C32H39Cl4FN4.
What is the molecular weight of 4-[[3-[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-2-(4-fluorophenyl)-1,3-diazinan-1-yl]methyl]-N,N-bis(2-chloroethyl)aniline?
The molecular weight of 4-[[3-[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-2-(4-fluorophenyl)-1,3-diazinan-1-yl]methyl]-N,N-bis(2-chloroethyl)aniline is 638.19 g/mol.
Where can I buy 4-[[3-[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-2-(4-fluorophenyl)-1,3-diazinan-1-yl]methyl]-N,N-bis(2-chloroethyl)aniline?
You can request a quote for 4-[[3-[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-2-(4-fluorophenyl)-1,3-diazinan-1-yl]methyl]-N,N-bis(2-chloroethyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[[3-[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-2-(4-fluorophenyl)-1,3-diazinan-1-yl]methyl]-N,N-bis(2-chloroethyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 4-[[3-[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-2-(4-fluorophenyl)-1,3-diazinan-1-yl]methyl]-N,N-bis(2-chloroethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.