Barbetonium
TL;DR: Barbetonium (CAS 698336-41-3) is a chemical compound with molecular formula C19H28N3O3+ and molecular weight 346.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl-[2-(5-ethyl-2,4,6-trioxo-5-phenyl-1,3-diazinan-1-yl)ethyl]-methylazanium
Also Known As: Barbetonium, Barbetonium ion, Barbetonium cation, 1(2H)-Pyrimidineethanaminium, N,N,5-triethyltetrahydro-N-methyl-2,4,6-trioxo-5-phenyl-, Ammonium, diethyl(2-(5-ethyltetrahydro-2,4,6-trioxo-5-phenyl-1(2H)-pyrimidinyl)ethyl)methyl-
| Molecular Formula | C19H28N3O3+ |
|---|---|
| Molecular Weight | 346.21 g/mol |
| LogP | 1.8992 |
| Topological Polar Surface Area | 66.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 346.21307 |
| Heavy Atoms | 25 |
| Complexity | 655.138 |
Chemical Identifiers
| CAS Number | 698336-41-3 |
|---|---|
| SMILES | CCC1(C(=O)NC(=O)N(C1=O)CC[N+](C)(CC)CC)C2=CC=CC=C2 |
Product Overview
Barbetonium (CAS 698336-41-3), with molecular formula C19H28N3O3+ and molecular weight 346.21 g/mol. IUPAC: diethyl-[2-(5-ethyl-2,4,6-trioxo-5-phenyl-1,3-diazinan-1-yl)ethyl]-methylazanium.
Chemical Property Profile of Barbetonium
Property Insights of Barbetonium
The XLogP value of 1.8992 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Barbetonium. The TPSA of 66.48 Ų falls within the moderate polarity range, balancing permeability and solubility for Barbetonium. Following Lipinski's Rule of Five, Barbetonium 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?
The CAS number of Barbetonium is 698336-41-3.
What is the molecular formula of Barbetonium?
The molecular formula of Barbetonium is C19H28N3O3+.
What is the molecular weight of Barbetonium?
The molecular weight of Barbetonium is 346.21 g/mol.
Where can I buy Barbetonium?
You can request a quote for Barbetonium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Barbetonium?
Yes, KEHONG BIO provides custom synthesis services for Barbetonium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.