Ferrocene, ((bis(2-chloroethyl)amino)methyl)-, hydrochloride
TL;DR: Ferrocene, ((bis(2-chloroethyl)amino)methyl)-, hydrochloride (CAS 68665-08-7) is a chemical compound with molecular formula C15H20Cl3FeN and molecular weight 375.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-(2-chloroethyl)-N-(cyclopenta-1,4-dien-1-ylmethyl)ethanamine;cyclopenta-1,3-diene;iron(2+);hydrochloride
Also Known As: Di(2-chloroethyl)ferrocenylmethylamine hydrochloride, ((Bis(2-chloroethyl)amino)methyl)ferrocene hydrochloride, Ferrocene, ((bis(2-chloroethyl)amino)methyl)-, hydrochloride, 2-chloro-N-(2-chloroethyl)-N-(cyclopenta-2,4-dien-1-ylmethyl)ethanamine; cyclopenta-1,3-diene; iron(2+); hydrochloride, RefChem:345421
| Molecular Formula | C15H20Cl3FeN |
|---|---|
| Molecular Weight | 375.00 g/mol |
| LogP | 4.5099 |
| Topological Polar Surface Area | 3.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 375.00107 |
| Heavy Atoms | 20 |
| Complexity | 339.16125 |
Chemical Identifiers
| CAS Number | 68665-08-7 |
|---|---|
| SMILES | [CH-]1C=CC=C1.[CH-]1C=CC(=C1)CN(CCCl)CCCl.Cl.[Fe+2] |
Product Overview
Ferrocene, ((bis(2-chloroethyl)amino)methyl)-, hydrochloride (CAS 68665-08-7), with molecular formula C15H20Cl3FeN and molecular weight 375.00 g/mol. IUPAC: 2-chloro-N-(2-chloroethyl)-N-(cyclopenta-1,4-dien-1-ylmethyl)ethanamine;cyclopenta-1,3-diene;iron(2+);hydrochloride.
Chemical Property Profile of Ferrocene, ((bis(2-chloroethyl)amino)methyl)-, hydrochloride
Property Insights of Ferrocene, ((bis(2-chloroethyl)amino)methyl)-, hydrochloride
The XLogP value of 4.5099 indicates that Ferrocene, ((bis(2-chloroethyl)amino)methyl)-, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.24 Ų, Ferrocene, ((bis(2-chloroethyl)amino)methyl)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ferrocene, ((bis(2-chloroethyl)amino)methyl)-, hydrochloride has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ferrocene, ((bis(2-chloroethyl)amino)methyl)-, hydrochloride?
The CAS number of Ferrocene, ((bis(2-chloroethyl)amino)methyl)-, hydrochloride is 68665-08-7.
What is the molecular formula of Ferrocene, ((bis(2-chloroethyl)amino)methyl)-, hydrochloride?
The molecular formula of Ferrocene, ((bis(2-chloroethyl)amino)methyl)-, hydrochloride is C15H20Cl3FeN.
What is the molecular weight of Ferrocene, ((bis(2-chloroethyl)amino)methyl)-, hydrochloride?
The molecular weight of Ferrocene, ((bis(2-chloroethyl)amino)methyl)-, hydrochloride is 375.00 g/mol.
Where can I buy Ferrocene, ((bis(2-chloroethyl)amino)methyl)-, hydrochloride?
You can request a quote for Ferrocene, ((bis(2-chloroethyl)amino)methyl)-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ferrocene, ((bis(2-chloroethyl)amino)methyl)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Ferrocene, ((bis(2-chloroethyl)amino)methyl)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.