3-(((diethylamino)carbonyl)oxy)-N,N,N-trimethylbenzenaminium
TL;DR: 3-(((diethylamino)carbonyl)oxy)-N,N,N-trimethylbenzenaminium (CAS 6033-07-4) is a chemical compound with molecular formula C15H26N2O6S and molecular weight 362.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(diethylcarbamoyloxy)phenyl]-trimethylazanium;methyl sulfate
Also Known As: 3-DEACO-TMBZ, 3-(((Diethylamino)carbonyl)oxy)-N,N,N-trimethylbenzenaminium, (m-Hyydroxyphenyl)trimethylammonium methylsulfate diethylcarbamate, [3-(diethylcarbamoyloxy)phenyl]-trimethylazanium;methyl sulfate, Diethylcarbamic ester of 3-oxyphenyltrimethylammonium methylsulfate
| Molecular Formula | C15H26N2O6S |
|---|---|
| Molecular Weight | 362.15 g/mol |
| LogP | 1.82 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 362.15115 |
| Heavy Atoms | 24 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 6033-07-4 |
|---|---|
| SMILES | CCN(CC)C(=O)OC1=CC=CC(=C1)[N+](C)(C)C.COS(=O)(=O)[O-] |
| InChIKey | XZOOJGGDVLOOFH-UHFFFAOYSA-M |
Product Overview
3-(((diethylamino)carbonyl)oxy)-N,N,N-trimethylbenzenaminium (CAS 6033-07-4), with molecular formula C15H26N2O6S and molecular weight 362.15 g/mol. IUPAC: [3-(diethylcarbamoyloxy)phenyl]-trimethylazanium;methyl sulfate.
Chemical Property Profile of 3-(((diethylamino)carbonyl)oxy)-N,N,N-trimethylbenzenaminium
Property Insights of 3-(((diethylamino)carbonyl)oxy)-N,N,N-trimethylbenzenaminium
The XLogP value of 1.82 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(((diethylamino)carbonyl)oxy)-N,N,N-trimethylbenzenaminium. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(((diethylamino)carbonyl)oxy)-N,N,N-trimethylbenzenaminium. Following Lipinski's Rule of Five, 3-(((diethylamino)carbonyl)oxy)-N,N,N-trimethylbenzenaminium has 0 hydrogen bond donor(s) and 6 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 3-(((diethylamino)carbonyl)oxy)-N,N,N-trimethylbenzenaminium?
The CAS number of 3-(((diethylamino)carbonyl)oxy)-N,N,N-trimethylbenzenaminium is 6033-07-4.
What is the molecular formula of 3-(((diethylamino)carbonyl)oxy)-N,N,N-trimethylbenzenaminium?
The molecular formula of 3-(((diethylamino)carbonyl)oxy)-N,N,N-trimethylbenzenaminium is C15H26N2O6S.
What is the molecular weight of 3-(((diethylamino)carbonyl)oxy)-N,N,N-trimethylbenzenaminium?
The molecular weight of 3-(((diethylamino)carbonyl)oxy)-N,N,N-trimethylbenzenaminium is 362.15 g/mol.
Where can I buy 3-(((diethylamino)carbonyl)oxy)-N,N,N-trimethylbenzenaminium?
You can request a quote for 3-(((diethylamino)carbonyl)oxy)-N,N,N-trimethylbenzenaminium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(((diethylamino)carbonyl)oxy)-N,N,N-trimethylbenzenaminium?
Yes, KEHONG BIO provides custom synthesis services for 3-(((diethylamino)carbonyl)oxy)-N,N,N-trimethylbenzenaminium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.