RefChem:1093372
TL;DR: RefChem:1093372 (CAS 3895-63-4) is a chemical compound with molecular formula C12H28Cl4N2 and molecular weight 340.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2-chloroethyl)-[4-(diethylazaniumyl)butyl]azanium dichloride
Also Known As: N,N-Bis(2-chloroethyl)-N',N'-diethyl-1,4-butanediamine dihydrochloride, 1,4-BUTANEDIAMINE, N,N-BIS(2-CHLOROETHYL)-N',N'-DIETHYL-, DIHYDROCHLORIDE, bis(2-chloroethyl)-[4-(diethylazaniumyl)butyl]azanium dichloride, N~1~,N~1~-Bis(2-chloroethyl)-N~4~,N~4~-diethylbutane-1,4-diamine--hydrogen chloride (1/2), RefChem:1093372
| Molecular Formula | C12H28Cl4N2 |
|---|---|
| Molecular Weight | 340.10 g/mol |
| LogP | -5.94 |
| Topological Polar Surface Area | 8.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 11 |
| Exact Mass | 342.09772 |
| Heavy Atoms | 18 |
| Complexity | 135.0 |
Chemical Identifiers
| CAS Number | 3895-63-4 |
|---|---|
| SMILES | CC[NH+](CC)CCCC[NH+](CCCl)CCCl.[Cl-].[Cl-] |
| InChIKey | BKRXVUWBSRZMDC-UHFFFAOYSA-N |
Product Overview
RefChem:1093372 (CAS 3895-63-4), with molecular formula C12H28Cl4N2 and molecular weight 340.10 g/mol. IUPAC: bis(2-chloroethyl)-[4-(diethylazaniumyl)butyl]azanium dichloride.
Chemical Property Profile of RefChem:1093372
Property Insights of RefChem:1093372
The XLogP value of -5.94 indicates that RefChem:1093372 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 8.9 Ų, RefChem:1093372 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1093372 has 2 hydrogen bond donor(s) and 2 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 RefChem:1093372?
The CAS number of RefChem:1093372 is 3895-63-4.
What is the molecular formula of RefChem:1093372?
The molecular formula of RefChem:1093372 is C12H28Cl4N2.
What is the molecular weight of RefChem:1093372?
The molecular weight of RefChem:1093372 is 340.10 g/mol.
Where can I buy RefChem:1093372?
You can request a quote for RefChem:1093372 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1093372?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1093372 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.