2-(3-Methoxyphenyl)-N,N,N-trimethylethan-1-aminium 4-methylbenzene-1-sulfonate
TL;DR: 2-(3-Methoxyphenyl)-N,N,N-trimethylethan-1-aminium 4-methylbenzene-1-sulfonate (CAS 30716-01-9) is a chemical compound with molecular formula C19H27NO4S and molecular weight 365.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-methoxyphenyl)ethyl-trimethylazanium;4-methylbenzenesulfonate
Also Known As: Emilium tosylate, 2-(3-methoxyphenyl)ethyl-trimethylazanium; 4-methylbenzenesulfonate, 2-(3-Methoxyphenyl)-N,N,N-trimethylethan-1-aminium 4-methylbenzene-1-sulfonate
| Molecular Formula | C19H27NO4S |
|---|---|
| Molecular Weight | 365.17 g/mol |
| LogP | 2.84302 |
| Topological Polar Surface Area | 74.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 365.16608 |
| Heavy Atoms | 25 |
| Complexity | 355.0 |
Chemical Identifiers
| CAS Number | 30716-01-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+](C)(C)CCC1=CC(=CC=C1)OC |
| InChIKey | DPBPCMPCBNIVPI-UHFFFAOYSA-M |
Product Overview
2-(3-Methoxyphenyl)-N,N,N-trimethylethan-1-aminium 4-methylbenzene-1-sulfonate (CAS 30716-01-9), with molecular formula C19H27NO4S and molecular weight 365.17 g/mol. IUPAC: 2-(3-methoxyphenyl)ethyl-trimethylazanium;4-methylbenzenesulfonate.
Chemical Property Profile of 2-(3-Methoxyphenyl)-N,N,N-trimethylethan-1-aminium 4-methylbenzene-1-sulfonate
Property Insights of 2-(3-Methoxyphenyl)-N,N,N-trimethylethan-1-aminium 4-methylbenzene-1-sulfonate
The XLogP value of 2.84302 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-Methoxyphenyl)-N,N,N-trimethylethan-1-aminium 4-methylbenzene-1-sulfonate. The TPSA of 74.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-Methoxyphenyl)-N,N,N-trimethylethan-1-aminium 4-methylbenzene-1-sulfonate. Following Lipinski's Rule of Five, 2-(3-Methoxyphenyl)-N,N,N-trimethylethan-1-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 2-(3-Methoxyphenyl)-N,N,N-trimethylethan-1-aminium 4-methylbenzene-1-sulfonate?
The CAS number of 2-(3-Methoxyphenyl)-N,N,N-trimethylethan-1-aminium 4-methylbenzene-1-sulfonate is 30716-01-9.
What is the molecular formula of 2-(3-Methoxyphenyl)-N,N,N-trimethylethan-1-aminium 4-methylbenzene-1-sulfonate?
The molecular formula of 2-(3-Methoxyphenyl)-N,N,N-trimethylethan-1-aminium 4-methylbenzene-1-sulfonate is C19H27NO4S.
What is the molecular weight of 2-(3-Methoxyphenyl)-N,N,N-trimethylethan-1-aminium 4-methylbenzene-1-sulfonate?
The molecular weight of 2-(3-Methoxyphenyl)-N,N,N-trimethylethan-1-aminium 4-methylbenzene-1-sulfonate is 365.17 g/mol.
Where can I buy 2-(3-Methoxyphenyl)-N,N,N-trimethylethan-1-aminium 4-methylbenzene-1-sulfonate?
You can request a quote for 2-(3-Methoxyphenyl)-N,N,N-trimethylethan-1-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 2-(3-Methoxyphenyl)-N,N,N-trimethylethan-1-aminium 4-methylbenzene-1-sulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Methoxyphenyl)-N,N,N-trimethylethan-1-aminium 4-methylbenzene-1-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.