2-(2-Acetyloxy-1-oxopropoxy)-N,N,N-trimethylethanaminium 2,6-naphthalenedisulfonate (2:1)
TL;DR: 2-(2-Acetyloxy-1-oxopropoxy)-N,N,N-trimethylethanaminium 2,6-naphthalenedisulfonate (2:1) (CAS 55077-35-5) is a chemical compound with molecular formula C30H46N2O14S2 and molecular weight 722.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2-(2-acetyloxypropanoyloxy)ethyl-trimethylazanium);naphthalene-2,6-disulfonate
Also Known As: 2-(2-Acetyloxy-1-oxopropoxy)-N,N,N-trimethylethanaminium 2,6-naphthalenedisulfonate (2:1), Ethanaminium, 2-(2-acetyloxy-1-oxopropoxy)-N,N,N-trimethyl-, 2,6-naphthalenedisulfonate (2:1), 2-(2-acetyloxypropanoyloxy)ethyl-trimethylazanium; naphthalene-2,6-disulfonate, Bis(2-{[2-(acetyloxy)propanoyl]oxy}-N,N,N-trimethylethan-1-aminium) naphthalene-2,6-disulfonate, RefChem:339943
| Molecular Formula | C30H46N2O14S2 |
|---|---|
| Molecular Weight | 722.24 g/mol |
| LogP | 1.0228 |
| Topological Polar Surface Area | 219.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 12 |
| Exact Mass | 722.2391 |
| Heavy Atoms | 48 |
| Complexity | 1505.5951 |
Chemical Identifiers
| CAS Number | 55077-35-5 |
|---|---|
| SMILES | CC(C(=O)OCC[N+](C)(C)C)OC(=O)C.CC(C(=O)OCC[N+](C)(C)C)OC(=O)C.C1=CC2=C(C=CC(=C2)S(=O)(=O)[O-])C=C1S(=O)(=O)[O-] |
Product Overview
2-(2-Acetyloxy-1-oxopropoxy)-N,N,N-trimethylethanaminium 2,6-naphthalenedisulfonate (2:1) (CAS 55077-35-5), with molecular formula C30H46N2O14S2 and molecular weight 722.24 g/mol. IUPAC: bis(2-(2-acetyloxypropanoyloxy)ethyl-trimethylazanium);naphthalene-2,6-disulfonate.
Chemical Property Profile of 2-(2-Acetyloxy-1-oxopropoxy)-N,N,N-trimethylethanaminium 2,6-naphthalenedisulfonate (2:1)
Property Insights of 2-(2-Acetyloxy-1-oxopropoxy)-N,N,N-trimethylethanaminium 2,6-naphthalenedisulfonate (2:1)
The XLogP value of 1.0228 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Acetyloxy-1-oxopropoxy)-N,N,N-trimethylethanaminium 2,6-naphthalenedisulfonate (2:1). The TPSA of 219.6 Ų indicates high polarity, suggesting 2-(2-Acetyloxy-1-oxopropoxy)-N,N,N-trimethylethanaminium 2,6-naphthalenedisulfonate (2:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-(2-Acetyloxy-1-oxopropoxy)-N,N,N-trimethylethanaminium 2,6-naphthalenedisulfonate (2:1) has 0 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(2-Acetyloxy-1-oxopropoxy)-N,N,N-trimethylethanaminium 2,6-naphthalenedisulfonate (2:1)?
The CAS number of 2-(2-Acetyloxy-1-oxopropoxy)-N,N,N-trimethylethanaminium 2,6-naphthalenedisulfonate (2:1) is 55077-35-5.
What is the molecular formula of 2-(2-Acetyloxy-1-oxopropoxy)-N,N,N-trimethylethanaminium 2,6-naphthalenedisulfonate (2:1)?
The molecular formula of 2-(2-Acetyloxy-1-oxopropoxy)-N,N,N-trimethylethanaminium 2,6-naphthalenedisulfonate (2:1) is C30H46N2O14S2.
What is the molecular weight of 2-(2-Acetyloxy-1-oxopropoxy)-N,N,N-trimethylethanaminium 2,6-naphthalenedisulfonate (2:1)?
The molecular weight of 2-(2-Acetyloxy-1-oxopropoxy)-N,N,N-trimethylethanaminium 2,6-naphthalenedisulfonate (2:1) is 722.24 g/mol.
Where can I buy 2-(2-Acetyloxy-1-oxopropoxy)-N,N,N-trimethylethanaminium 2,6-naphthalenedisulfonate (2:1)?
You can request a quote for 2-(2-Acetyloxy-1-oxopropoxy)-N,N,N-trimethylethanaminium 2,6-naphthalenedisulfonate (2:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Acetyloxy-1-oxopropoxy)-N,N,N-trimethylethanaminium 2,6-naphthalenedisulfonate (2:1)?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Acetyloxy-1-oxopropoxy)-N,N,N-trimethylethanaminium 2,6-naphthalenedisulfonate (2:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.