2-(2-(1-Oxobutoxy)-1-oxopropoxy)-N,N,N-trimethylethanaminium 4-methylbenzenesulfonate
TL;DR: 2-(2-(1-Oxobutoxy)-1-oxopropoxy)-N,N,N-trimethylethanaminium 4-methylbenzenesulfonate (CAS 55077-32-2) is a chemical compound with molecular formula C19H31NO7S and molecular weight 417.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-butanoyloxypropanoyloxy)ethyl-trimethylazanium;4-methylbenzenesulfonate
Also Known As: 2-(2-(1-Oxobutoxy)-1-oxopropoxy)-N,N,N-trimethylethanaminium 4-methylbenzenesulfonate, Ethanaminium, 2-(2-(1-oxobutoxy)-1-oxopropoxy)-N,N,N-trimethyl-, 4-methylbenzenesulfonate, 2-(2-butanoyloxypropanoyloxy)ethyl-trimethylazanium; 4-methylbenzenesulfonate, 2-{[2-(Butanoyloxy)propanoyl]oxy}-N,N,N-trimethylethan-1-aminium 4-methylbenzene-1-sulfonate, RefChem:339931
| Molecular Formula | C19H31NO7S |
|---|---|
| Molecular Weight | 417.18 g/mol |
| LogP | 1.86672 |
| Topological Polar Surface Area | 109.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 417.18213 |
| Heavy Atoms | 28 |
| Complexity | 721.64417 |
Chemical Identifiers
| CAS Number | 55077-32-2 |
|---|---|
| SMILES | CCCC(=O)OC(C)C(=O)OCC[N+](C)(C)C.CC1=CC=C(C=C1)S(=O)(=O)[O-] |
Product Overview
2-(2-(1-Oxobutoxy)-1-oxopropoxy)-N,N,N-trimethylethanaminium 4-methylbenzenesulfonate (CAS 55077-32-2), with molecular formula C19H31NO7S and molecular weight 417.18 g/mol. IUPAC: 2-(2-butanoyloxypropanoyloxy)ethyl-trimethylazanium;4-methylbenzenesulfonate.
Chemical Property Profile of 2-(2-(1-Oxobutoxy)-1-oxopropoxy)-N,N,N-trimethylethanaminium 4-methylbenzenesulfonate
Property Insights of 2-(2-(1-Oxobutoxy)-1-oxopropoxy)-N,N,N-trimethylethanaminium 4-methylbenzenesulfonate
The XLogP value of 1.86672 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-(1-Oxobutoxy)-1-oxopropoxy)-N,N,N-trimethylethanaminium 4-methylbenzenesulfonate. The TPSA of 109.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-(1-Oxobutoxy)-1-oxopropoxy)-N,N,N-trimethylethanaminium 4-methylbenzenesulfonate. Following Lipinski's Rule of Five, 2-(2-(1-Oxobutoxy)-1-oxopropoxy)-N,N,N-trimethylethanaminium 4-methylbenzenesulfonate has 0 hydrogen bond donor(s) and 7 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 2-(2-(1-Oxobutoxy)-1-oxopropoxy)-N,N,N-trimethylethanaminium 4-methylbenzenesulfonate?
The CAS number of 2-(2-(1-Oxobutoxy)-1-oxopropoxy)-N,N,N-trimethylethanaminium 4-methylbenzenesulfonate is 55077-32-2.
What is the molecular formula of 2-(2-(1-Oxobutoxy)-1-oxopropoxy)-N,N,N-trimethylethanaminium 4-methylbenzenesulfonate?
The molecular formula of 2-(2-(1-Oxobutoxy)-1-oxopropoxy)-N,N,N-trimethylethanaminium 4-methylbenzenesulfonate is C19H31NO7S.
What is the molecular weight of 2-(2-(1-Oxobutoxy)-1-oxopropoxy)-N,N,N-trimethylethanaminium 4-methylbenzenesulfonate?
The molecular weight of 2-(2-(1-Oxobutoxy)-1-oxopropoxy)-N,N,N-trimethylethanaminium 4-methylbenzenesulfonate is 417.18 g/mol.
Where can I buy 2-(2-(1-Oxobutoxy)-1-oxopropoxy)-N,N,N-trimethylethanaminium 4-methylbenzenesulfonate?
You can request a quote for 2-(2-(1-Oxobutoxy)-1-oxopropoxy)-N,N,N-trimethylethanaminium 4-methylbenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-(1-Oxobutoxy)-1-oxopropoxy)-N,N,N-trimethylethanaminium 4-methylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-(1-Oxobutoxy)-1-oxopropoxy)-N,N,N-trimethylethanaminium 4-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.