Oxibetaine
TL;DR: Oxibetaine (CAS 6947-14-4) is a chemical compound with molecular formula C6H13NO3 and molecular weight 147.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-hydroxyethyl(dimethyl)azaniumyl]acetate
Also Known As: Oxibetaine, Oxibetain, oxibetaina, ossibetaina, oxibetainum
| Molecular Formula | C6H13NO3 |
|---|---|
| Molecular Weight | 147.09 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 60.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 147.08954 |
| Heavy Atoms | 10 |
| Complexity | 117.0 |
Chemical Identifiers
| CAS Number | 6947-14-4 |
|---|---|
| SMILES | C[N+](C)(CCO)CC(=O)[O-] |
| InChIKey | GENAXZSZPRLQRB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Oxibetaine (CAS 6947-14-4), with molecular formula C6H13NO3 and molecular weight 147.09 g/mol. IUPAC: 2-[2-hydroxyethyl(dimethyl)azaniumyl]acetate.
Chemical Property Profile of Oxibetaine
Property Insights of Oxibetaine
The XLogP value of -0.2 indicates that Oxibetaine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 60.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Oxibetaine. Following Lipinski's Rule of Five, Oxibetaine 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 Oxibetaine?
The CAS number of Oxibetaine is 6947-14-4.
What is the molecular formula of Oxibetaine?
The molecular formula of Oxibetaine is C6H13NO3.
What is the molecular weight of Oxibetaine?
The molecular weight of Oxibetaine is 147.09 g/mol.
Where can I buy Oxibetaine?
You can request a quote for Oxibetaine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oxibetaine?
Yes, KEHONG BIO provides custom synthesis services for Oxibetaine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.