1,1-Bis(2-chloroethyl)aziridin-1-ium chloride
TL;DR: 1,1-Bis(2-chloroethyl)aziridin-1-ium chloride (CAS 64058-25-9) is a chemical compound with molecular formula C6H12Cl3N and molecular weight 203.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-bis(2-chloroethyl)aziridin-1-ium chloride
Also Known As: 1,1-bis(2-chloroethyl)aziridin-1-ium chloride, AZIRIDINIUM, 1,1-BIS(2-CHLOROETHYL)-, CHLORIDE, 1,1-Bis(beta-chloroethyl)ethylenimonium chloride, N,N-bis(2-chloroethyl)aziridinium chloride, RefChem:1051725
| Molecular Formula | C6H12Cl3N |
|---|---|
| Molecular Weight | 203.00 g/mol |
| LogP | -1.7 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 203.00352 |
| Heavy Atoms | 10 |
| Complexity | 83.0 |
Chemical Identifiers
| CAS Number | 64058-25-9 |
|---|---|
| SMILES | C1C[N+]1(CCCl)CCCl.[Cl-] |
| InChIKey | QXUVQYGBGHNLCJ-UHFFFAOYSA-M |
Product Overview
1,1-Bis(2-chloroethyl)aziridin-1-ium chloride (CAS 64058-25-9), with molecular formula C6H12Cl3N and molecular weight 203.00 g/mol. IUPAC: 1,1-bis(2-chloroethyl)aziridin-1-ium chloride.
Chemical Property Profile of 1,1-Bis(2-chloroethyl)aziridin-1-ium chloride
Property Insights of 1,1-Bis(2-chloroethyl)aziridin-1-ium chloride
The XLogP value of -1.7 indicates that 1,1-Bis(2-chloroethyl)aziridin-1-ium chloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 0.0 Ų, 1,1-Bis(2-chloroethyl)aziridin-1-ium chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1-Bis(2-chloroethyl)aziridin-1-ium chloride 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 1,1-Bis(2-chloroethyl)aziridin-1-ium chloride?
The CAS number of 1,1-Bis(2-chloroethyl)aziridin-1-ium chloride is 64058-25-9.
What is the molecular formula of 1,1-Bis(2-chloroethyl)aziridin-1-ium chloride?
The molecular formula of 1,1-Bis(2-chloroethyl)aziridin-1-ium chloride is C6H12Cl3N.
What is the molecular weight of 1,1-Bis(2-chloroethyl)aziridin-1-ium chloride?
The molecular weight of 1,1-Bis(2-chloroethyl)aziridin-1-ium chloride is 203.00 g/mol.
Where can I buy 1,1-Bis(2-chloroethyl)aziridin-1-ium chloride?
You can request a quote for 1,1-Bis(2-chloroethyl)aziridin-1-ium chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Bis(2-chloroethyl)aziridin-1-ium chloride?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Bis(2-chloroethyl)aziridin-1-ium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.