1,4-Bis(2-chloroethyl)-1,4-diazoniabicyclo(2.2.1)heptane diperchlorate
TL;DR: 1,4-Bis(2-chloroethyl)-1,4-diazoniabicyclo(2.2.1)heptane diperchlorate (CAS 1020-94-6) is a chemical compound with molecular formula C9H18Cl4N2O8 and molecular weight 421.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-bis(2-chloroethyl)-1,4-diazoniabicyclo[2.2.1]heptane diperchlorate
Also Known As: AI3-51214, 1,4-Bis(2-chloroethyl)-1,4-diazoniabicyclo(2.2.1)heptane diperchlorate, 1,4-Bis(2-chloroethyl)-1,4-diazabicyclo(2.2.1)heptane diperchlorate, 1,4-Diazoniabicyclo(2.2.1)heptane, 1,4-bis(2-chloroethyl)-, diperchlorate, 1,4-Diazoniabicyclo[2.2.1]heptane, 1,4-bis(2-chloroethyl)-, perchlorate (1:2)
| Molecular Formula | C9H18Cl4N2O8 |
|---|---|
| Molecular Weight | 421.98 g/mol |
| LogP | -8.4297 |
| Topological Polar Surface Area | 149.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 421.98172 |
| Heavy Atoms | 23 |
| Complexity | 264.0 |
Chemical Identifiers
| CAS Number | 1020-94-6 |
|---|---|
| SMILES | C1C[N+]2(CC[N+]1(C2)CCCl)CCCl.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O |
| InChIKey | VFNYIZWKTLDNAF-UHFFFAOYSA-L |
Product Overview
1,4-Bis(2-chloroethyl)-1,4-diazoniabicyclo(2.2.1)heptane diperchlorate (CAS 1020-94-6), with molecular formula C9H18Cl4N2O8 and molecular weight 421.98 g/mol. IUPAC: 1,4-bis(2-chloroethyl)-1,4-diazoniabicyclo[2.2.1]heptane diperchlorate.
Chemical Property Profile of 1,4-Bis(2-chloroethyl)-1,4-diazoniabicyclo(2.2.1)heptane diperchlorate
Property Insights of 1,4-Bis(2-chloroethyl)-1,4-diazoniabicyclo(2.2.1)heptane diperchlorate
The XLogP value of -8.4297 indicates that 1,4-Bis(2-chloroethyl)-1,4-diazoniabicyclo(2.2.1)heptane diperchlorate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 149.0 Ų indicates high polarity, suggesting 1,4-Bis(2-chloroethyl)-1,4-diazoniabicyclo(2.2.1)heptane diperchlorate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,4-Bis(2-chloroethyl)-1,4-diazoniabicyclo(2.2.1)heptane diperchlorate has 0 hydrogen bond donor(s) and 8 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 1,4-Bis(2-chloroethyl)-1,4-diazoniabicyclo(2.2.1)heptane diperchlorate?
The CAS number of 1,4-Bis(2-chloroethyl)-1,4-diazoniabicyclo(2.2.1)heptane diperchlorate is 1020-94-6.
What is the molecular formula of 1,4-Bis(2-chloroethyl)-1,4-diazoniabicyclo(2.2.1)heptane diperchlorate?
The molecular formula of 1,4-Bis(2-chloroethyl)-1,4-diazoniabicyclo(2.2.1)heptane diperchlorate is C9H18Cl4N2O8.
What is the molecular weight of 1,4-Bis(2-chloroethyl)-1,4-diazoniabicyclo(2.2.1)heptane diperchlorate?
The molecular weight of 1,4-Bis(2-chloroethyl)-1,4-diazoniabicyclo(2.2.1)heptane diperchlorate is 421.98 g/mol.
Where can I buy 1,4-Bis(2-chloroethyl)-1,4-diazoniabicyclo(2.2.1)heptane diperchlorate?
You can request a quote for 1,4-Bis(2-chloroethyl)-1,4-diazoniabicyclo(2.2.1)heptane diperchlorate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Bis(2-chloroethyl)-1,4-diazoniabicyclo(2.2.1)heptane diperchlorate?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Bis(2-chloroethyl)-1,4-diazoniabicyclo(2.2.1)heptane diperchlorate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.