![1,4-Bis(2-chloroethyl)-1,4-diazoniabicyclo[2.2.1]heptane structure](/static/products/8362/83626-72-6.webp)
1,4-Bis(2-chloroethyl)-1,4-diazoniabicyclo[2.2.1]heptane
TL;DR: 1,4-Bis(2-chloroethyl)-1,4-diazoniabicyclo[2.2.1]heptane (CAS 83626-72-6) is a chemical compound with molecular formula C9H18Cl2N2+2 and molecular weight 224.08 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
Also Known As: DABIS MALEATE, NCIStruc1_000279, NCIStruc2_001779, KST-1B8830, C(CCl)N12CCN(CCCl)(CC2)C1
| Molecular Formula | C9H18Cl2N2+2 |
|---|---|
| Molecular Weight | 224.08 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 4 |
| Exact Mass | 224.0847 |
| Heavy Atoms | 13 |
| Complexity | 168.0 |
Chemical Identifiers
| CAS Number | 83626-72-6 |
|---|---|
| SMILES | C1C[N+]2(CC[N+]1(C2)CCCl)CCCl |
| InChIKey | MOWWNCUQNURBRK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Bis(2-chloroethyl)-1,4-diazoniabicyclo[2.2.1]heptane (CAS 83626-72-6), with molecular formula C9H18Cl2N2+2 and molecular weight 224.08 g/mol. IUPAC: 1,4-bis(2-chloroethyl)-1,4-diazoniabicyclo[2.2.1]heptane.
Chemical Property Profile of 1,4-Bis(2-chloroethyl)-1,4-diazoniabicyclo[2.2.1]heptane
Property Insights of 1,4-Bis(2-chloroethyl)-1,4-diazoniabicyclo[2.2.1]heptane
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Bis(2-chloroethyl)-1,4-diazoniabicyclo[2.2.1]heptane. With a topological polar surface area (TPSA) of 0.0 Ų, 1,4-Bis(2-chloroethyl)-1,4-diazoniabicyclo[2.2.1]heptane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Bis(2-chloroethyl)-1,4-diazoniabicyclo[2.2.1]heptane has 0 hydrogen bond donor(s) and 0 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?
The CAS number of 1,4-Bis(2-chloroethyl)-1,4-diazoniabicyclo[2.2.1]heptane is 83626-72-6.
What is the molecular formula of 1,4-Bis(2-chloroethyl)-1,4-diazoniabicyclo[2.2.1]heptane?
The molecular formula of 1,4-Bis(2-chloroethyl)-1,4-diazoniabicyclo[2.2.1]heptane is C9H18Cl2N2+2.
What is the molecular weight of 1,4-Bis(2-chloroethyl)-1,4-diazoniabicyclo[2.2.1]heptane?
The molecular weight of 1,4-Bis(2-chloroethyl)-1,4-diazoniabicyclo[2.2.1]heptane is 224.08 g/mol.
Where can I buy 1,4-Bis(2-chloroethyl)-1,4-diazoniabicyclo[2.2.1]heptane?
You can request a quote for 1,4-Bis(2-chloroethyl)-1,4-diazoniabicyclo[2.2.1]heptane 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?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Bis(2-chloroethyl)-1,4-diazoniabicyclo[2.2.1]heptane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.