Phenyltrimethylammonium methosulfate
TL;DR: Phenyltrimethylammonium methosulfate (CAS 28001-58-3) is a chemical compound with molecular formula C10H17NO4S and molecular weight 247.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl sulfate;trimethyl(phenyl)azanium
Also Known As: Phenyltrimethylammonium methosulfate, Phenyltrimethylammonium sulfomethylate, Trimethylphenylammonium methyl sulfate, methyl sulfate;trimethyl(phenyl)azanium, PHENYLTRIMETHYLAMMONIUMMETHOSULFATE
| Molecular Formula | C10H17NO4S |
|---|---|
| Molecular Weight | 247.09 g/mol |
| LogP | 0.9763 |
| Topological Polar Surface Area | 66.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 247.08783 |
| Heavy Atoms | 16 |
| Complexity | 394.57724 |
Chemical Identifiers
| CAS Number | 28001-58-3 |
|---|---|
| SMILES | C[N+](C)(C)C1=CC=CC=C1.COS(=O)(=O)[O-] |
Product Overview
Phenyltrimethylammonium methosulfate (CAS 28001-58-3), with molecular formula C10H17NO4S and molecular weight 247.09 g/mol. IUPAC: methyl sulfate;trimethyl(phenyl)azanium.
Chemical Property Profile of Phenyltrimethylammonium methosulfate
Property Insights of Phenyltrimethylammonium methosulfate
The XLogP value of 0.9763 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenyltrimethylammonium methosulfate. The TPSA of 66.43 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenyltrimethylammonium methosulfate. Following Lipinski's Rule of Five, Phenyltrimethylammonium methosulfate 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 Phenyltrimethylammonium methosulfate?
The CAS number of Phenyltrimethylammonium methosulfate is 28001-58-3.
What is the molecular formula of Phenyltrimethylammonium methosulfate?
The molecular formula of Phenyltrimethylammonium methosulfate is C10H17NO4S.
What is the molecular weight of Phenyltrimethylammonium methosulfate?
The molecular weight of Phenyltrimethylammonium methosulfate is 247.09 g/mol.
Where can I buy Phenyltrimethylammonium methosulfate?
You can request a quote for Phenyltrimethylammonium methosulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyltrimethylammonium methosulfate?
Yes, KEHONG BIO provides custom synthesis services for Phenyltrimethylammonium methosulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.