2-(2-(1-Oxopropoxy)-1-oxopropoxy)-N,N,N-trimethylethanaminium 4-methylbenzenesulfonate
TL;DR: 2-(2-(1-Oxopropoxy)-1-oxopropoxy)-N,N,N-trimethylethanaminium 4-methylbenzenesulfonate (CAS 55077-38-8) is a chemical compound with molecular formula C18H29NO7S and molecular weight 403.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylbenzenesulfonate;trimethyl-[2-(2-propanoyloxypropanoyloxy)ethyl]azanium
Also Known As: 2-(2-(1-Oxopropoxy)-1-oxopropoxy)-N,N,N-trimethylethanaminium 4-methylbenzenesulfonate, Ethanaminium, 2-(2-(1-oxopropoxy)-1-oxopropoxy)-N,N,N-trimethyl-, 4-methylbenzenesulfonate, 4-methylbenzenesulfonate; trimethyl-[2-(2-propanoyloxypropanoyloxy)ethyl]azanium, N,N,N-Trimethyl-2-{[2-(propanoyloxy)propanoyl]oxy}ethan-1-aminium 4-methylbenzene-1-sulfonate, RefChem:339935
| Molecular Formula | C18H29NO7S |
|---|---|
| Molecular Weight | 403.17 g/mol |
| LogP | 1.47662 |
| Topological Polar Surface Area | 109.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 403.16647 |
| Heavy Atoms | 27 |
| Complexity | 706.2208 |
Chemical Identifiers
| CAS Number | 55077-38-8 |
|---|---|
| SMILES | CCC(=O)OC(C)C(=O)OCC[N+](C)(C)C.CC1=CC=C(C=C1)S(=O)(=O)[O-] |
Product Overview
2-(2-(1-Oxopropoxy)-1-oxopropoxy)-N,N,N-trimethylethanaminium 4-methylbenzenesulfonate (CAS 55077-38-8), with molecular formula C18H29NO7S and molecular weight 403.17 g/mol. IUPAC: 4-methylbenzenesulfonate;trimethyl-[2-(2-propanoyloxypropanoyloxy)ethyl]azanium.
Chemical Property Profile of 2-(2-(1-Oxopropoxy)-1-oxopropoxy)-N,N,N-trimethylethanaminium 4-methylbenzenesulfonate
Property Insights of 2-(2-(1-Oxopropoxy)-1-oxopropoxy)-N,N,N-trimethylethanaminium 4-methylbenzenesulfonate
The XLogP value of 1.47662 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-(1-Oxopropoxy)-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-Oxopropoxy)-1-oxopropoxy)-N,N,N-trimethylethanaminium 4-methylbenzenesulfonate. Following Lipinski's Rule of Five, 2-(2-(1-Oxopropoxy)-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-Oxopropoxy)-1-oxopropoxy)-N,N,N-trimethylethanaminium 4-methylbenzenesulfonate?
The CAS number of 2-(2-(1-Oxopropoxy)-1-oxopropoxy)-N,N,N-trimethylethanaminium 4-methylbenzenesulfonate is 55077-38-8.
What is the molecular formula of 2-(2-(1-Oxopropoxy)-1-oxopropoxy)-N,N,N-trimethylethanaminium 4-methylbenzenesulfonate?
The molecular formula of 2-(2-(1-Oxopropoxy)-1-oxopropoxy)-N,N,N-trimethylethanaminium 4-methylbenzenesulfonate is C18H29NO7S.
What is the molecular weight of 2-(2-(1-Oxopropoxy)-1-oxopropoxy)-N,N,N-trimethylethanaminium 4-methylbenzenesulfonate?
The molecular weight of 2-(2-(1-Oxopropoxy)-1-oxopropoxy)-N,N,N-trimethylethanaminium 4-methylbenzenesulfonate is 403.17 g/mol.
Where can I buy 2-(2-(1-Oxopropoxy)-1-oxopropoxy)-N,N,N-trimethylethanaminium 4-methylbenzenesulfonate?
You can request a quote for 2-(2-(1-Oxopropoxy)-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-Oxopropoxy)-1-oxopropoxy)-N,N,N-trimethylethanaminium 4-methylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-(1-Oxopropoxy)-1-oxopropoxy)-N,N,N-trimethylethanaminium 4-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.