1-(2-Benzylphenoxy)-N,N,N-trimethylpropan-2-aminium 4-methylbenzene-1-sulfonate
TL;DR: 1-(2-Benzylphenoxy)-N,N,N-trimethylpropan-2-aminium 4-methylbenzene-1-sulfonate (CAS 7347-92-4) is a chemical compound with molecular formula C26H33NO4S and molecular weight 455.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-benzylphenoxy)propan-2-yl-trimethylazanium;4-methylbenzenesulfonate
Also Known As: (1-((2-Benzylphenoxy)methyl)ethyl)trimethylammonium toluenesulfonate, AMMONIUM, (1-((2-BENZYLPHENOXY)METHYL)ETHYL)TRIMETHYL-, TOLUENESULFONATE, 1-(2-benzylphenoxy)propan-2-yl-trimethylazanium;4-methylbenzenesulfonate, 1-(2-Benzylphenoxy)-N,N,N-trimethylpropan-2-aminium 4-methylbenzene-1-sulfonate, 1-(2-benzylphenoxy)propan-2-yl-trimethylazanium; 4-methylbenzenesulfonate
| Molecular Formula | C26H33NO4S |
|---|---|
| Molecular Weight | 455.21 g/mol |
| LogP | 4.65 |
| Topological Polar Surface Area | 74.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 455.21304 |
| Heavy Atoms | 32 |
| Complexity | 483.0 |
Chemical Identifiers
| CAS Number | 7347-92-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(COC1=CC=CC=C1CC2=CC=CC=C2)[N+](C)(C)C |
| InChIKey | XKPNOJBZASNNKA-UHFFFAOYSA-M |
Product Overview
1-(2-Benzylphenoxy)-N,N,N-trimethylpropan-2-aminium 4-methylbenzene-1-sulfonate (CAS 7347-92-4), with molecular formula C26H33NO4S and molecular weight 455.21 g/mol. IUPAC: 1-(2-benzylphenoxy)propan-2-yl-trimethylazanium;4-methylbenzenesulfonate.
Chemical Property Profile of 1-(2-Benzylphenoxy)-N,N,N-trimethylpropan-2-aminium 4-methylbenzene-1-sulfonate
Property Insights of 1-(2-Benzylphenoxy)-N,N,N-trimethylpropan-2-aminium 4-methylbenzene-1-sulfonate
The XLogP value of 4.65 indicates that 1-(2-Benzylphenoxy)-N,N,N-trimethylpropan-2-aminium 4-methylbenzene-1-sulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-Benzylphenoxy)-N,N,N-trimethylpropan-2-aminium 4-methylbenzene-1-sulfonate. Following Lipinski's Rule of Five, 1-(2-Benzylphenoxy)-N,N,N-trimethylpropan-2-aminium 4-methylbenzene-1-sulfonate has 0 hydrogen bond donor(s) and 4 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 1-(2-Benzylphenoxy)-N,N,N-trimethylpropan-2-aminium 4-methylbenzene-1-sulfonate?
The CAS number of 1-(2-Benzylphenoxy)-N,N,N-trimethylpropan-2-aminium 4-methylbenzene-1-sulfonate is 7347-92-4.
What is the molecular formula of 1-(2-Benzylphenoxy)-N,N,N-trimethylpropan-2-aminium 4-methylbenzene-1-sulfonate?
The molecular formula of 1-(2-Benzylphenoxy)-N,N,N-trimethylpropan-2-aminium 4-methylbenzene-1-sulfonate is C26H33NO4S.
What is the molecular weight of 1-(2-Benzylphenoxy)-N,N,N-trimethylpropan-2-aminium 4-methylbenzene-1-sulfonate?
The molecular weight of 1-(2-Benzylphenoxy)-N,N,N-trimethylpropan-2-aminium 4-methylbenzene-1-sulfonate is 455.21 g/mol.
Where can I buy 1-(2-Benzylphenoxy)-N,N,N-trimethylpropan-2-aminium 4-methylbenzene-1-sulfonate?
You can request a quote for 1-(2-Benzylphenoxy)-N,N,N-trimethylpropan-2-aminium 4-methylbenzene-1-sulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Benzylphenoxy)-N,N,N-trimethylpropan-2-aminium 4-methylbenzene-1-sulfonate?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Benzylphenoxy)-N,N,N-trimethylpropan-2-aminium 4-methylbenzene-1-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.