Ammonium, dimethylheptyl(2-hydroxyethyl)-, bromide, benzilate
TL;DR: Ammonium, dimethylheptyl(2-hydroxyethyl)-, bromide, benzilate (CAS 56927-42-5) is a chemical compound with molecular formula C25H36BrNO3 and molecular weight 477.18787 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
heptyl-[2-(2-hydroxy-2,2-diphenylacetyl)oxyethyl]-dimethylazanium bromide
Also Known As: Dimethylheptyl(2-hydroxyethyl)ammonium bromide benzilate, Benzilsaeure-dimethyl-heptyl-ammonium-aethylester-bromide, Benzilsaeure-dimethyl-heptyl-ammonium-aethylester-bromide [German], AMMONIUM, DIMETHYLHEPTYL(2-HYDROXYETHYL)-, BROMIDE, BENZILATE, heptyl-[2-(2-hydroxy-2,2-diphenylacetyl)oxyethyl]-dimethylazanium bromide
Technical Specifications
| Molecular Formula | C25H36BrNO3 |
| Molecular Weight | 477.18787 g/mol |
| XLogP | 1.52 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 13 |
| Exact Mass | 477.18787 Da |
| Heavy Atoms | 30 |
| Complexity | 447.0 |
| SMILES | CCCCCCC[N+](C)(C)CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O.[Br-] |
| InChIKey | LJSAYCZHIMBNKA-UHFFFAOYSA-M |
Chemical Property Profile of Ammonium, dimethylheptyl(2-hydroxyethyl)-, bromide, benzilate
Property Insights of Ammonium, dimethylheptyl(2-hydroxyethyl)-, bromide, benzilate
The XLogP value of 1.52 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ammonium, dimethylheptyl(2-hydroxyethyl)-, bromide, benzilate. With a topological polar surface area (TPSA) of 46.5 Ų, Ammonium, dimethylheptyl(2-hydroxyethyl)-, bromide, benzilate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ammonium, dimethylheptyl(2-hydroxyethyl)-, bromide, benzilate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ammonium, dimethylheptyl(2-hydroxyethyl)-, bromide, benzilate?
The CAS number of Ammonium, dimethylheptyl(2-hydroxyethyl)-, bromide, benzilate is 56927-42-5.
What is the molecular formula of Ammonium, dimethylheptyl(2-hydroxyethyl)-, bromide, benzilate?
The molecular formula of Ammonium, dimethylheptyl(2-hydroxyethyl)-, bromide, benzilate is C25H36BrNO3.
What is the molecular weight of Ammonium, dimethylheptyl(2-hydroxyethyl)-, bromide, benzilate?
The molecular weight of Ammonium, dimethylheptyl(2-hydroxyethyl)-, bromide, benzilate is 477.18787 g/mol.
Where can I buy Ammonium, dimethylheptyl(2-hydroxyethyl)-, bromide, benzilate?
You can request a quote for Ammonium, dimethylheptyl(2-hydroxyethyl)-, bromide, benzilate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ammonium, dimethylheptyl(2-hydroxyethyl)-, bromide, benzilate?
Yes, CoreyChem provides custom synthesis services for Ammonium, dimethylheptyl(2-hydroxyethyl)-, bromide, benzilate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.