溴他西尼
TL;DR: 溴他西尼 (CAS 84379-13-5) 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.
溴他西尼
tert-butyl (7S)-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, Bretazenilum, 1-Bretazenil, Bretazenil [USAN:INN], Bretazenilum [INN-Latin]
| Molecular Formula | C19H20BrN3O3 |
|---|---|
| Molecular Weight | 417.07 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 64.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 417.0688 |
| Heavy Atoms | 26 |
| Complexity | 593.0 |
Chemical Identifiers
| CAS Number | 84379-13-5 |
|---|---|
| SMILES | CC(C)(C)OC(=O)C1=C2[C@@H]3CCCN3C(=O)C4=C(N2C=N1)C=CC=C4Br |
| InChIKey | LWUDDYHYYNNIQI-ZDUSSCGKSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
溴他西尼 (CAS 84379-13-5), with molecular formula C19H20BrN3O3 and molecular weight 417.07 g/mol. IUPAC: tert-butyl (7S)-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 溴他西尼
Property Insights of 溴他西尼
The XLogP value of 3.1 indicates that 溴他西尼 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 溴他西尼. Following Lipinski's Rule of Five, 溴他西尼 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 溴他西尼?
The CAS number of 溴他西尼 is 84379-13-5.
What is the molecular formula of 溴他西尼?
The molecular formula of 溴他西尼 is C19H20BrN3O3.
What is the molecular weight of 溴他西尼?
The molecular weight of 溴他西尼 is 417.07 g/mol.
Where can I buy 溴他西尼?
You can request a quote for 溴他西尼 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 溴他西尼?
Yes, KEHONG BIO provides custom synthesis services for 溴他西尼 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.