(((4-(Bis(2-chloroethyl)amino)phenyl)methylene)amino)ferrocene
TL;DR: (((4-(Bis(2-chloroethyl)amino)phenyl)methylene)amino)ferrocene (CAS 68665-11-2) is a chemical compound with molecular formula C21H22Cl2FeN2 and molecular weight 428.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-bis(2-chloroethyl)-4-(cyclopenta-1,3-dien-1-yliminomethyl)aniline;cyclopenta-1,3-diene;iron(2+)
Also Known As: p-(Di(2-chloroethyl)amino)benzylideneferrocenylamine, (((4-(Bis(2-chloroethyl)amino)phenyl)methylene)amino)ferrocene, Ferrocene, (((4-(bis(2-chloroethyl)amino)phenyl)methylene)amino)-, N,N-bis(2-chloroethyl)-4-(cyclopenta-2,4-dien-1-yliminomethyl)aniline; cyclopenta-1,3-diene; iron(2+)
| Molecular Formula | C21H22Cl2FeN2 |
|---|---|
| Molecular Weight | 428.05 g/mol |
| LogP | 5.8431 |
| Topological Polar Surface Area | 15.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 428.05093 |
| Heavy Atoms | 26 |
| Complexity | 668.993 |
Chemical Identifiers
| CAS Number | 68665-11-2 |
|---|---|
| SMILES | [CH-]1C=CC=C1.[CH-]1C=CC=C1N=CC2=CC=C(C=C2)N(CCCl)CCCl.[Fe+2] |
Product Overview
(((4-(Bis(2-chloroethyl)amino)phenyl)methylene)amino)ferrocene (CAS 68665-11-2), with molecular formula C21H22Cl2FeN2 and molecular weight 428.05 g/mol. IUPAC: N,N-bis(2-chloroethyl)-4-(cyclopenta-1,3-dien-1-yliminomethyl)aniline;cyclopenta-1,3-diene;iron(2+).
Chemical Property Profile of (((4-(Bis(2-chloroethyl)amino)phenyl)methylene)amino)ferrocene
Property Insights of (((4-(Bis(2-chloroethyl)amino)phenyl)methylene)amino)ferrocene
The XLogP value of 5.8431 indicates that (((4-(Bis(2-chloroethyl)amino)phenyl)methylene)amino)ferrocene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 15.6 Ų, (((4-(Bis(2-chloroethyl)amino)phenyl)methylene)amino)ferrocene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (((4-(Bis(2-chloroethyl)amino)phenyl)methylene)amino)ferrocene has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (((4-(Bis(2-chloroethyl)amino)phenyl)methylene)amino)ferrocene?
The CAS number of (((4-(Bis(2-chloroethyl)amino)phenyl)methylene)amino)ferrocene is 68665-11-2.
What is the molecular formula of (((4-(Bis(2-chloroethyl)amino)phenyl)methylene)amino)ferrocene?
The molecular formula of (((4-(Bis(2-chloroethyl)amino)phenyl)methylene)amino)ferrocene is C21H22Cl2FeN2.
What is the molecular weight of (((4-(Bis(2-chloroethyl)amino)phenyl)methylene)amino)ferrocene?
The molecular weight of (((4-(Bis(2-chloroethyl)amino)phenyl)methylene)amino)ferrocene is 428.05 g/mol.
Where can I buy (((4-(Bis(2-chloroethyl)amino)phenyl)methylene)amino)ferrocene?
You can request a quote for (((4-(Bis(2-chloroethyl)amino)phenyl)methylene)amino)ferrocene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (((4-(Bis(2-chloroethyl)amino)phenyl)methylene)amino)ferrocene?
Yes, KEHONG BIO provides custom synthesis services for (((4-(Bis(2-chloroethyl)amino)phenyl)methylene)amino)ferrocene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.