Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, acetate
TL;DR: Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, acetate (CAS 64051-12-3) is a chemical compound with molecular formula C12H19NO6S and molecular weight 305.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-acetyloxyphenyl)-trimethylazanium;methyl sulfate
Also Known As: 3-Acetoxyphenyl trimethylammonium methylsulfate, Ammonium, (m-acetoxyphenyl)trimethyl-, methylsulfate, AMMONIUM, (m-HYDROXYPHENYL)TRIMETHYL-, METHYLSULFATE, ACETATE, Acetic acid, (m-trimethylammonio)phenyl ester, methylsulfate, Acetylester der 3-oxyphenyltrimethylammoniummethylsulfat
| Molecular Formula | C12H19NO6S |
|---|---|
| Molecular Weight | 305.09 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 305.09332 |
| Heavy Atoms | 20 |
| Complexity | 299.0 |
Chemical Identifiers
| CAS Number | 64051-12-3 |
|---|---|
| SMILES | CC(=O)OC1=CC=CC(=C1)[N+](C)(C)C.COS(=O)(=O)[O-] |
| InChIKey | GBBOJPNOIYMNRZ-UHFFFAOYSA-M |
Product Overview
Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, acetate (CAS 64051-12-3), with molecular formula C12H19NO6S and molecular weight 305.09 g/mol. IUPAC: (3-acetyloxyphenyl)-trimethylazanium;methyl sulfate.
Chemical Property Profile of Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, acetate
Property Insights of Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, acetate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, acetate. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, acetate. Following Lipinski's Rule of Five, Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, acetate has 0 hydrogen bond donor(s) and 6 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 Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, acetate?
The CAS number of Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, acetate is 64051-12-3.
What is the molecular formula of Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, acetate?
The molecular formula of Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, acetate is C12H19NO6S.
What is the molecular weight of Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, acetate?
The molecular weight of Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, acetate is 305.09 g/mol.
Where can I buy Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, acetate?
You can request a quote for Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, acetate?
Yes, KEHONG BIO provides custom synthesis services for Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.