Ammonium, diethylmethyl(2-(2-octyloxybenzoyloxy)ethyl)-, bromide
TL;DR: Ammonium, diethylmethyl(2-(2-octyloxybenzoyloxy)ethyl)-, bromide (CAS 51444-65-6) is a chemical compound with molecular formula C22H38BrNO3 and molecular weight 443.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl-methyl-[2-(2-octoxybenzoyl)oxyethyl]azanium bromide
Also Known As: Diethylmethyl(2-(2-octyloxybenzoyloxy)ethyl)ammonium bromide, Ammonium, diethylmethyl(2-(2-octyloxybenzoyloxy)ethyl)-, bromide, diethyl-methyl-[2-(2-octoxybenzoyl)oxyethyl]azanium bromide, Ethanaminium, N,N-diethyl-N-methyl-2-[[2-(octyloxy)benzoyl]oxy]-, bromide, N,N-Diethyl-N-methyl-2-{[2-(octyloxy)benzoyl]oxy}ethan-1-aminium bromide
| Molecular Formula | C22H38BrNO3 |
|---|---|
| Molecular Weight | 443.20 g/mol |
| LogP | 2.0731 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 14 |
| Exact Mass | 443.20352 |
| Heavy Atoms | 27 |
| Complexity | 518.0343 |
Chemical Identifiers
| CAS Number | 51444-65-6 |
|---|---|
| SMILES | CCCCCCCCOC1=CC=CC=C1C(=O)OCC[N+](C)(CC)CC.[Br-] |
Product Overview
Ammonium, diethylmethyl(2-(2-octyloxybenzoyloxy)ethyl)-, bromide (CAS 51444-65-6), with molecular formula C22H38BrNO3 and molecular weight 443.20 g/mol. IUPAC: diethyl-methyl-[2-(2-octoxybenzoyl)oxyethyl]azanium bromide.
Chemical Property Profile of Ammonium, diethylmethyl(2-(2-octyloxybenzoyloxy)ethyl)-, bromide
Property Insights of Ammonium, diethylmethyl(2-(2-octyloxybenzoyloxy)ethyl)-, bromide
The XLogP value of 2.0731 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ammonium, diethylmethyl(2-(2-octyloxybenzoyloxy)ethyl)-, bromide. With a topological polar surface area (TPSA) of 35.53 Ų, Ammonium, diethylmethyl(2-(2-octyloxybenzoyloxy)ethyl)-, bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ammonium, diethylmethyl(2-(2-octyloxybenzoyloxy)ethyl)-, 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
Frequently Asked Questions
What is the CAS number of Ammonium, diethylmethyl(2-(2-octyloxybenzoyloxy)ethyl)-, bromide?
The CAS number of Ammonium, diethylmethyl(2-(2-octyloxybenzoyloxy)ethyl)-, bromide is 51444-65-6.
What is the molecular formula of Ammonium, diethylmethyl(2-(2-octyloxybenzoyloxy)ethyl)-, bromide?
The molecular formula of Ammonium, diethylmethyl(2-(2-octyloxybenzoyloxy)ethyl)-, bromide is C22H38BrNO3.
What is the molecular weight of Ammonium, diethylmethyl(2-(2-octyloxybenzoyloxy)ethyl)-, bromide?
The molecular weight of Ammonium, diethylmethyl(2-(2-octyloxybenzoyloxy)ethyl)-, bromide is 443.20 g/mol.
Where can I buy Ammonium, diethylmethyl(2-(2-octyloxybenzoyloxy)ethyl)-, bromide?
You can request a quote for Ammonium, diethylmethyl(2-(2-octyloxybenzoyloxy)ethyl)-, bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ammonium, diethylmethyl(2-(2-octyloxybenzoyloxy)ethyl)-, bromide?
Yes, KEHONG BIO provides custom synthesis services for Ammonium, diethylmethyl(2-(2-octyloxybenzoyloxy)ethyl)-, bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.