Bretazenil
TL;DR: Bretazenil (CAS 136023-18-2) is a chemical compound with molecular formula C19H20BrN3O3 and molecular weight 417.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 14-bromo-12-oxo-2,4,11-triazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,13,15-pentaene-5-carboxylate
Also Known As: Bretazenil, Ro-16-6028, RO16-6028, J1.437.898G, Ro 16-6028; Ro 16-6028/000
| Molecular Formula | C19H20BrN3O3 |
|---|---|
| Molecular Weight | 417.07 g/mol |
| LogP | 3.8808 |
| Topological Polar Surface Area | 64.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 417.0688 |
| Heavy Atoms | 26 |
| Complexity | 913.2385 |
Chemical Identifiers
| CAS Number | 136023-18-2 |
|---|---|
| SMILES | CC(C)(C)OC(=O)C1=C2C3CCCN3C(=O)C4=C(N2C=N1)C=CC=C4Br |
Product Overview
Bretazenil (CAS 136023-18-2), with molecular formula C19H20BrN3O3 and molecular weight 417.07 g/mol. IUPAC: tert-butyl 14-bromo-12-oxo-2,4,11-triazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,13,15-pentaene-5-carboxylate.
Chemical Property Profile of Bretazenil
Property Insights of Bretazenil
The XLogP value of 3.8808 indicates that Bretazenil is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.43 Ų falls within the moderate polarity range, balancing permeability and solubility for Bretazenil. Following Lipinski's Rule of Five, Bretazenil has 0 hydrogen bond donor(s) and 4 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 Bretazenil?
The CAS number of Bretazenil is 136023-18-2.
What is the molecular formula of Bretazenil?
The molecular formula of Bretazenil is C19H20BrN3O3.
What is the molecular weight of Bretazenil?
The molecular weight of Bretazenil is 417.07 g/mol.
Where can I buy Bretazenil?
You can request a quote for Bretazenil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bretazenil?
Yes, KEHONG BIO provides custom synthesis services for Bretazenil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.