Barbetonium iodide
TL;DR: Barbetonium iodide (CAS 6191-48-6) is a chemical compound with molecular formula C19H28IN3O3 and molecular weight 473.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Barbetonium iodide
diethyl-[2-(5-ethyl-2,4,6-trioxo-5-phenyl-1,3-diazinan-1-yl)ethyl]-methylazanium iodide
Also Known As: Barbetonium iodide, DEFENAL, DEFENALE, BARBETONII IODIDUM, EINECS 228-237-7
| Molecular Formula | C19H28IN3O3 |
|---|---|
| Molecular Weight | 473.12 g/mol |
| LogP | -1.0968 |
| Topological Polar Surface Area | 66.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 473.11755 |
| Heavy Atoms | 26 |
| Complexity | 661.253 |
Chemical Identifiers
| CAS Number | 6191-48-6 |
|---|---|
| SMILES | CCC1(C(=O)NC(=O)N(C1=O)CC[N+](C)(CC)CC)C2=CC=CC=C2.[I-] |
Product Overview
Barbetonium iodide (CAS 6191-48-6), with molecular formula C19H28IN3O3 and molecular weight 473.12 g/mol. IUPAC: diethyl-[2-(5-ethyl-2,4,6-trioxo-5-phenyl-1,3-diazinan-1-yl)ethyl]-methylazanium iodide.
Chemical Property Profile of Barbetonium iodide
Property Insights of Barbetonium iodide
The XLogP value of -1.0968 indicates that Barbetonium iodide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 66.48 Ų falls within the moderate polarity range, balancing permeability and solubility for Barbetonium iodide. Following Lipinski's Rule of Five, Barbetonium iodide has 1 hydrogen bond donor(s) and 3 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 Barbetonium iodide?
The CAS number of Barbetonium iodide is 6191-48-6.
What is the molecular formula of Barbetonium iodide?
The molecular formula of Barbetonium iodide is C19H28IN3O3.
What is the molecular weight of Barbetonium iodide?
The molecular weight of Barbetonium iodide is 473.12 g/mol.
Where can I buy Barbetonium iodide?
You can request a quote for Barbetonium iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Barbetonium iodide?
Yes, KEHONG BIO provides custom synthesis services for Barbetonium iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.