3-(Heptanoyloxy)-N,N,N-trimethylanilinium bromide
TL;DR: 3-(Heptanoyloxy)-N,N,N-trimethylanilinium bromide (CAS 63982-07-0) is a chemical compound with molecular formula C16H26BrNO2 and molecular weight 343.1147 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3-heptanoyloxyphenyl)-trimethylazanium bromide
Also Known As: (3-Heptoxyphenyl)trimethylammonium bromide, Ro 2-2856, 3-(heptanoyloxy)-n,n,n-trimethylanilinium bromide, (3-Heptanoyloxy)phenyltrimethylammonium bromide, Ammonium, (3-heptanoyloxy)phenyltrimethyl-, bromide
Technical Specifications
| Molecular Formula | C16H26BrNO2 |
| Molecular Weight | 343.1147 g/mol |
| XLogP | 0.76 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 343.1147 Da |
| Heavy Atoms | 20 |
| Complexity | 270.0 |
| SMILES | CCCCCCC(=O)OC1=CC=CC(=C1)[N+](C)(C)C.[Br-] |
| InChIKey | POZZPXLZWADZGS-UHFFFAOYSA-M |
Chemical Property Profile of 3-(Heptanoyloxy)-N,N,N-trimethylanilinium bromide
Property Insights of 3-(Heptanoyloxy)-N,N,N-trimethylanilinium bromide
The XLogP value of 0.76 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Heptanoyloxy)-N,N,N-trimethylanilinium bromide. With a topological polar surface area (TPSA) of 26.3 Ų, 3-(Heptanoyloxy)-N,N,N-trimethylanilinium bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Heptanoyloxy)-N,N,N-trimethylanilinium bromide has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(Heptanoyloxy)-N,N,N-trimethylanilinium bromide?
The CAS number of 3-(Heptanoyloxy)-N,N,N-trimethylanilinium bromide is 63982-07-0.
What is the molecular formula of 3-(Heptanoyloxy)-N,N,N-trimethylanilinium bromide?
The molecular formula of 3-(Heptanoyloxy)-N,N,N-trimethylanilinium bromide is C16H26BrNO2.
What is the molecular weight of 3-(Heptanoyloxy)-N,N,N-trimethylanilinium bromide?
The molecular weight of 3-(Heptanoyloxy)-N,N,N-trimethylanilinium bromide is 343.1147 g/mol.
Where can I buy 3-(Heptanoyloxy)-N,N,N-trimethylanilinium bromide?
You can request a quote for 3-(Heptanoyloxy)-N,N,N-trimethylanilinium bromide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(Heptanoyloxy)-N,N,N-trimethylanilinium bromide?
Yes, CoreyChem provides custom synthesis services for 3-(Heptanoyloxy)-N,N,N-trimethylanilinium bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.