((2-(Acetylamino)-3-(4-(bis(2-chloroethyl)amino)phenyl)-1-oxopropyl)amino)ferrocene
TL;DR: ((2-(Acetylamino)-3-(4-(bis(2-chloroethyl)amino)phenyl)-1-oxopropyl)amino)ferrocene (CAS 68665-09-8) is a chemical compound with molecular formula C25H29Cl2FeN3O2 and molecular weight 529.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[1-acetamido-2-[4-[bis(2-chloroethyl)amino]phenyl]ethyl]amino]-cyclopenta-2,4-dien-1-ylidenemethanolate;cyclopenta-1,3-diene;iron(2+)
Also Known As: ((2-(Acetylamino)-3-(4-(bis(2-chloroethyl)amino)phenyl)-1-oxopropyl)amino)ferrocene, Ferrocene, ((2-(acetylamino)-3-(4-(bis(2-chloroethyl)amino)phenyl)-1-oxopropyl)amino)-, [[1-acetamido-2-[4-[bis(2-chloroethyl)amino]phenyl]ethyl]amino]-cyclopenta-2,4-dien-1-ylidenemethanolate; cyclopenta-1,3-diene; iron(2+), Iron(2+) N-(2-(4-(bis(2-chloroethyl)amino)phenyl)-1-(((cyclopenta-2,4-dien-1-ylidene)(hydroxy)methyl)amino)ethyl)ethanimidate cyclopenta-2,4-dien-1-ide (1/1/1), RefChem:1087460
| Molecular Formula | C25H29Cl2FeN3O2 |
|---|---|
| Molecular Weight | 529.10 g/mol |
| LogP | 3.6658 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 529.09863 |
| Heavy Atoms | 33 |
| Complexity | 859.6652 |
Chemical Identifiers
| CAS Number | 68665-09-8 |
|---|---|
| SMILES | CC(=O)NC(CC1=CC=C(C=C1)N(CCCl)CCCl)NC(=C2C=CC=C2)[O-].[CH-]1C=CC=C1.[Fe+2] |
Product Overview
((2-(Acetylamino)-3-(4-(bis(2-chloroethyl)amino)phenyl)-1-oxopropyl)amino)ferrocene (CAS 68665-09-8), with molecular formula C25H29Cl2FeN3O2 and molecular weight 529.10 g/mol. IUPAC: [[1-acetamido-2-[4-[bis(2-chloroethyl)amino]phenyl]ethyl]amino]-cyclopenta-2,4-dien-1-ylidenemethanolate;cyclopenta-1,3-diene;iron(2+).
Chemical Property Profile of ((2-(Acetylamino)-3-(4-(bis(2-chloroethyl)amino)phenyl)-1-oxopropyl)amino)ferrocene
Property Insights of ((2-(Acetylamino)-3-(4-(bis(2-chloroethyl)amino)phenyl)-1-oxopropyl)amino)ferrocene
The XLogP value of 3.6658 indicates that ((2-(Acetylamino)-3-(4-(bis(2-chloroethyl)amino)phenyl)-1-oxopropyl)amino)ferrocene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for ((2-(Acetylamino)-3-(4-(bis(2-chloroethyl)amino)phenyl)-1-oxopropyl)amino)ferrocene. Following Lipinski's Rule of Five, ((2-(Acetylamino)-3-(4-(bis(2-chloroethyl)amino)phenyl)-1-oxopropyl)amino)ferrocene has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ((2-(Acetylamino)-3-(4-(bis(2-chloroethyl)amino)phenyl)-1-oxopropyl)amino)ferrocene?
The CAS number of ((2-(Acetylamino)-3-(4-(bis(2-chloroethyl)amino)phenyl)-1-oxopropyl)amino)ferrocene is 68665-09-8.
What is the molecular formula of ((2-(Acetylamino)-3-(4-(bis(2-chloroethyl)amino)phenyl)-1-oxopropyl)amino)ferrocene?
The molecular formula of ((2-(Acetylamino)-3-(4-(bis(2-chloroethyl)amino)phenyl)-1-oxopropyl)amino)ferrocene is C25H29Cl2FeN3O2.
What is the molecular weight of ((2-(Acetylamino)-3-(4-(bis(2-chloroethyl)amino)phenyl)-1-oxopropyl)amino)ferrocene?
The molecular weight of ((2-(Acetylamino)-3-(4-(bis(2-chloroethyl)amino)phenyl)-1-oxopropyl)amino)ferrocene is 529.10 g/mol.
Where can I buy ((2-(Acetylamino)-3-(4-(bis(2-chloroethyl)amino)phenyl)-1-oxopropyl)amino)ferrocene?
You can request a quote for ((2-(Acetylamino)-3-(4-(bis(2-chloroethyl)amino)phenyl)-1-oxopropyl)amino)ferrocene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ((2-(Acetylamino)-3-(4-(bis(2-chloroethyl)amino)phenyl)-1-oxopropyl)amino)ferrocene?
Yes, KEHONG BIO provides custom synthesis services for ((2-(Acetylamino)-3-(4-(bis(2-chloroethyl)amino)phenyl)-1-oxopropyl)amino)ferrocene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.