![2-[Dimethyl-[3-(octadec-9-enoylamino)propyl]azaniumyl]acetate structure](/static/products/2505/25054-76-6.webp)
2-[Dimethyl-[3-(octadec-9-enoylamino)propyl]azaniumyl]acetate
TL;DR: 2-[Dimethyl-[3-(octadec-9-enoylamino)propyl]azaniumyl]acetate (CAS 25054-76-6) is a chemical compound with molecular formula C25H48N2O3 and molecular weight 424.3665 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[dimethyl-[3-(octadec-9-enoylamino)propyl]azaniumyl]acetate
Also Known As: Mirataine BET-O, Oleamidopropyl betaine
Technical Specifications
| Molecular Formula | C25H48N2O3 |
| Molecular Weight | 424.3665 g/mol |
| XLogP | 7.7 |
| Topological Polar Surface Area (TPSA) | 69.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 20 |
| Exact Mass | 424.3665 Da |
| Heavy Atoms | 30 |
| Complexity | 456.0 |
| SMILES | CCCCCCCCC=CCCCCCCCC(=O)NCCC[N+](C)(C)CC(=O)[O-] |
| InChIKey | ZKWJQNCOTNUNMF-UHFFFAOYSA-N |
Chemical Property Profile of 2-[Dimethyl-[3-(octadec-9-enoylamino)propyl]azaniumyl]acetate
Property Insights of 2-[Dimethyl-[3-(octadec-9-enoylamino)propyl]azaniumyl]acetate
The XLogP value of 7.7 indicates that 2-[Dimethyl-[3-(octadec-9-enoylamino)propyl]azaniumyl]acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[Dimethyl-[3-(octadec-9-enoylamino)propyl]azaniumyl]acetate. Following Lipinski's Rule of Five, 2-[Dimethyl-[3-(octadec-9-enoylamino)propyl]azaniumyl]acetate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 2-[Dimethyl-[3-(octadec-9-enoylamino)propyl]azaniumyl]acetate?
The CAS number of 2-[Dimethyl-[3-(octadec-9-enoylamino)propyl]azaniumyl]acetate is 25054-76-6.
What is the molecular formula of 2-[Dimethyl-[3-(octadec-9-enoylamino)propyl]azaniumyl]acetate?
The molecular formula of 2-[Dimethyl-[3-(octadec-9-enoylamino)propyl]azaniumyl]acetate is C25H48N2O3.
What is the molecular weight of 2-[Dimethyl-[3-(octadec-9-enoylamino)propyl]azaniumyl]acetate?
The molecular weight of 2-[Dimethyl-[3-(octadec-9-enoylamino)propyl]azaniumyl]acetate is 424.3665 g/mol.
Where can I buy 2-[Dimethyl-[3-(octadec-9-enoylamino)propyl]azaniumyl]acetate?
You can request a quote for 2-[Dimethyl-[3-(octadec-9-enoylamino)propyl]azaniumyl]acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-[Dimethyl-[3-(octadec-9-enoylamino)propyl]azaniumyl]acetate?
Yes, CoreyChem provides custom synthesis services for 2-[Dimethyl-[3-(octadec-9-enoylamino)propyl]azaniumyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.