DBED dihydrochloride
TL;DR: DBED dihydrochloride (CAS 3412-76-8) is a chemical compound with molecular formula C16H22Cl2N2 and molecular weight 312.116 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzyl-[2-(benzylazaniumyl)ethyl]azanium dichloride
Also Known As: DBED dihydrochloride, Benzathine dihydrochloride, N,N'-Dibenzylethylenediammonium dichloride, N,N'-Dibenzylethylenediamine dihydrochloride, F 212
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C16H22Cl2N2 |
| Molecular Weight | 312.116 g/mol |
| XLogP | -5.48 |
| Topological Polar Surface Area (TPSA) | 33.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 312.116 Da |
| Heavy Atoms | 20 |
| Complexity | 171.0 |
| SMILES | C1=CC=C(C=C1)C[NH2+]CC[NH2+]CC2=CC=CC=C2.[Cl-].[Cl-] |
| InChIKey | NZBGFGGNLREHFL-UHFFFAOYSA-N |
Chemical Property Profile of DBED dihydrochloride
Property Insights of DBED dihydrochloride
The XLogP value of -5.48 indicates that DBED dihydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 33.2 Ų, DBED dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, DBED dihydrochloride 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
What is the CAS number of DBED dihydrochloride?
The CAS number of DBED dihydrochloride is 3412-76-8.
What is the molecular formula of DBED dihydrochloride?
The molecular formula of DBED dihydrochloride is C16H22Cl2N2.
What is the molecular weight of DBED dihydrochloride?
The molecular weight of DBED dihydrochloride is 312.116 g/mol.
Where can I buy DBED dihydrochloride?
You can request a quote for DBED dihydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for DBED dihydrochloride?
Yes, CoreyChem provides custom synthesis services for DBED dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.