Gaboxadol hydrobromide
TL;DR: Gaboxadol hydrobromide (CAS 65202-63-3) is a chemical compound with molecular formula C6H9BrN2O2 and molecular weight 219.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-one;hydrobromide
Also Known As: Gaboxadol Hydrobromide, THIP monohydrobromide, THIP hydrobromide, GABOXADOL HYDROBROMIDE [MI], 4,5,6,7-Tetrahydroisoxazolo(5,4-c)pyridine-3-ol hydrobromide
| Molecular Formula | C6H9BrN2O2 |
|---|---|
| Molecular Weight | 219.98 g/mol |
| LogP | 0.1915 |
| Topological Polar Surface Area | 50.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 219.98474 |
| Heavy Atoms | 11 |
| Complexity | 210.0 |
Chemical Identifiers
| CAS Number | 65202-63-3 |
|---|---|
| SMILES | C1CNCC2=C1C(=O)NO2.Br |
| InChIKey | UPVZCNRBPOAABW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Gaboxadol hydrobromide (CAS 65202-63-3), with molecular formula C6H9BrN2O2 and molecular weight 219.98 g/mol. IUPAC: 4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-one;hydrobromide.
Chemical Property Profile of Gaboxadol hydrobromide
Property Insights of Gaboxadol hydrobromide
The XLogP value of 0.1915 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Gaboxadol hydrobromide. With a topological polar surface area (TPSA) of 50.4 Ų, Gaboxadol hydrobromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Gaboxadol hydrobromide has 3 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 Gaboxadol hydrobromide?
The CAS number of Gaboxadol hydrobromide is 65202-63-3.
What is the molecular formula of Gaboxadol hydrobromide?
The molecular formula of Gaboxadol hydrobromide is C6H9BrN2O2.
What is the molecular weight of Gaboxadol hydrobromide?
The molecular weight of Gaboxadol hydrobromide is 219.98 g/mol.
Where can I buy Gaboxadol hydrobromide?
You can request a quote for Gaboxadol hydrobromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Gaboxadol hydrobromide?
Yes, KEHONG BIO provides custom synthesis services for Gaboxadol hydrobromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.