(((2-(4-(Bis(2-chloroethyl)amino)phenyl)-1-(methoxycarbonyl)ethyl)amino)carbonyl)ferrocene
TL;DR: (((2-(4-(Bis(2-chloroethyl)amino)phenyl)-1-(methoxycarbonyl)ethyl)amino)carbonyl)ferrocene (CAS 68665-07-6) is a chemical compound with molecular formula C25H28Cl2FeN2O3 and molecular weight 530.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[3-[4-[bis(2-chloroethyl)amino]phenyl]-1-methoxy-1-oxopropan-2-yl]amino]-cyclopenta-2,4-dien-1-ylidenemethanolate;cyclopenta-1,3-diene;iron(2+)
Also Known As: (((2-(4-(Bis(2-chloroethyl)amino)phenyl)-1-(methoxycarbonyl)ethyl)amino)carbonyl)ferrocene, Ferrocene, (((2-(4-(bis(2-chlorethyl)amino)phenyl)-1-(methoxycarbonyl)ethyl)amino)carbonyl)-, [[3-[4-[bis(2-chloroethyl)amino]phenyl]-1-methoxy-1-oxopropan-2-yl]amino]-cyclopenta-2,4-dien-1-ylidenemethanolate; cyclopenta-1,3-diene; iron(2+), Iron(2+) ((3-(4-(bis(2-chloroethyl)amino)phenyl)-1-methoxy-1-oxopropan-2-yl)amino)(cyclopenta-2,4-dien-1-ylidene)methanolate cyclopenta-2,4-dien-1-ide (1/1/1), Iron(2+) [(3-{4-[bis(2-chloroethyl)amino]phenyl}-1-methoxy-1-oxopropan-2-yl)amino](cyclopenta-2,4-dien-1-ylidene)methanolate cyclopenta-2,4-dien-1-ide (1/1/1)
| Molecular Formula | C25H28Cl2FeN2O3 |
|---|---|
| Molecular Weight | 530.08 g/mol |
| LogP | 3.7452 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 530.08264 |
| Heavy Atoms | 33 |
| Complexity | 859.6652 |
Chemical Identifiers
| CAS Number | 68665-07-6 |
|---|---|
| SMILES | COC(=O)C(CC1=CC=C(C=C1)N(CCCl)CCCl)NC(=C2C=CC=C2)[O-].[CH-]1C=CC=C1.[Fe+2] |
Product Overview
(((2-(4-(Bis(2-chloroethyl)amino)phenyl)-1-(methoxycarbonyl)ethyl)amino)carbonyl)ferrocene (CAS 68665-07-6), with molecular formula C25H28Cl2FeN2O3 and molecular weight 530.08 g/mol. IUPAC: [[3-[4-[bis(2-chloroethyl)amino]phenyl]-1-methoxy-1-oxopropan-2-yl]amino]-cyclopenta-2,4-dien-1-ylidenemethanolate;cyclopenta-1,3-diene;iron(2+).
Chemical Property Profile of (((2-(4-(Bis(2-chloroethyl)amino)phenyl)-1-(methoxycarbonyl)ethyl)amino)carbonyl)ferrocene
Property Insights of (((2-(4-(Bis(2-chloroethyl)amino)phenyl)-1-(methoxycarbonyl)ethyl)amino)carbonyl)ferrocene
The XLogP value of 3.7452 indicates that (((2-(4-(Bis(2-chloroethyl)amino)phenyl)-1-(methoxycarbonyl)ethyl)amino)carbonyl)ferrocene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for (((2-(4-(Bis(2-chloroethyl)amino)phenyl)-1-(methoxycarbonyl)ethyl)amino)carbonyl)ferrocene. Following Lipinski's Rule of Five, (((2-(4-(Bis(2-chloroethyl)amino)phenyl)-1-(methoxycarbonyl)ethyl)amino)carbonyl)ferrocene has 1 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 (((2-(4-(Bis(2-chloroethyl)amino)phenyl)-1-(methoxycarbonyl)ethyl)amino)carbonyl)ferrocene?
The CAS number of (((2-(4-(Bis(2-chloroethyl)amino)phenyl)-1-(methoxycarbonyl)ethyl)amino)carbonyl)ferrocene is 68665-07-6.
What is the molecular formula of (((2-(4-(Bis(2-chloroethyl)amino)phenyl)-1-(methoxycarbonyl)ethyl)amino)carbonyl)ferrocene?
The molecular formula of (((2-(4-(Bis(2-chloroethyl)amino)phenyl)-1-(methoxycarbonyl)ethyl)amino)carbonyl)ferrocene is C25H28Cl2FeN2O3.
What is the molecular weight of (((2-(4-(Bis(2-chloroethyl)amino)phenyl)-1-(methoxycarbonyl)ethyl)amino)carbonyl)ferrocene?
The molecular weight of (((2-(4-(Bis(2-chloroethyl)amino)phenyl)-1-(methoxycarbonyl)ethyl)amino)carbonyl)ferrocene is 530.08 g/mol.
Where can I buy (((2-(4-(Bis(2-chloroethyl)amino)phenyl)-1-(methoxycarbonyl)ethyl)amino)carbonyl)ferrocene?
You can request a quote for (((2-(4-(Bis(2-chloroethyl)amino)phenyl)-1-(methoxycarbonyl)ethyl)amino)carbonyl)ferrocene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (((2-(4-(Bis(2-chloroethyl)amino)phenyl)-1-(methoxycarbonyl)ethyl)amino)carbonyl)ferrocene?
Yes, KEHONG BIO provides custom synthesis services for (((2-(4-(Bis(2-chloroethyl)amino)phenyl)-1-(methoxycarbonyl)ethyl)amino)carbonyl)ferrocene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.