Behenamidopropyl dimethylamine behenate
TL;DR: Behenamidopropyl dimethylamine behenate (CAS 125804-04-8) is a chemical compound with molecular formula C49H100N2O3 and molecular weight 764.7734 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[3-(dimethylamino)propyl]docosanamide;docosanoic acid
Also Known As: Necon BAB, Catemol 220-B, BEHENAMIDOPROPYL DIMETHYLAMINE BEHENATE, n-[3-(dimethylamino)propyl]docosanamide, Docosanamide, N-(3-(dimethylamino)propyl)-, monodocosanoate
Technical Specifications
| Molecular Formula | C49H100N2O3 |
| Molecular Weight | 764.7734 g/mol |
| XLogP | 15.7691 |
| Topological Polar Surface Area (TPSA) | 69.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 44 |
| Exact Mass | 764.7734 Da |
| Heavy Atoms | 54 |
| Complexity | 594.0 |
| SMILES | CCCCCCCCCCCCCCCCCCCCCC(=O)NCCCN(C)C.CCCCCCCCCCCCCCCCCCCCCC(=O)O |
| InChIKey | NDGKBIRTNHDYCM-UHFFFAOYSA-N |
Chemical Property Profile of Behenamidopropyl dimethylamine behenate
Property Insights of Behenamidopropyl dimethylamine behenate
The XLogP value of 15.7691 indicates that Behenamidopropyl dimethylamine behenate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Behenamidopropyl dimethylamine behenate. Following Lipinski's Rule of Five, Behenamidopropyl dimethylamine behenate has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Behenamidopropyl dimethylamine behenate?
The CAS number of Behenamidopropyl dimethylamine behenate is 125804-04-8.
What is the molecular formula of Behenamidopropyl dimethylamine behenate?
The molecular formula of Behenamidopropyl dimethylamine behenate is C49H100N2O3.
What is the molecular weight of Behenamidopropyl dimethylamine behenate?
The molecular weight of Behenamidopropyl dimethylamine behenate is 764.7734 g/mol.
Where can I buy Behenamidopropyl dimethylamine behenate?
You can request a quote for Behenamidopropyl dimethylamine behenate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Behenamidopropyl dimethylamine behenate?
Yes, CoreyChem provides custom synthesis services for Behenamidopropyl dimethylamine behenate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.