Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, ethylcarbamate
TL;DR: Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, ethylcarbamate (CAS 64051-20-3) is a chemical compound with molecular formula C13H22N2O6S and molecular weight 334.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(ethylcarbamoyloxy)phenyl]-trimethylazanium;methyl sulfate
Also Known As: Ethylcarbamic ester of m-oxyphenyltrimethylammonium methylsulfate, AMMONIUM, (m-HYDROXYPHENYL)TRIMETHYL-, METHYLSULFATE, ETHYLCARBAMATE, Ammonium, (3-(N-ethylcarbamoyloxy)phenyl)trimethyl-, methylsulfate, Carbamic acid, N-ethyl-, 3-dimethylaminophenyl ester, methosulfate, Carbamic acid, N-ethyl-, 3-(trimethylammonio)phenyl ester, methylsulfate
| Molecular Formula | C13H22N2O6S |
|---|---|
| Molecular Weight | 334.12 g/mol |
| LogP | 1.08 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 334.11984 |
| Heavy Atoms | 22 |
| Complexity | 326.0 |
Chemical Identifiers
| CAS Number | 64051-20-3 |
|---|---|
| SMILES | CCNC(=O)OC1=CC=CC(=C1)[N+](C)(C)C.COS(=O)(=O)[O-] |
| InChIKey | MHCNMRCYCFSNID-UHFFFAOYSA-N |
Product Overview
Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, ethylcarbamate (CAS 64051-20-3), with molecular formula C13H22N2O6S and molecular weight 334.12 g/mol. IUPAC: [3-(ethylcarbamoyloxy)phenyl]-trimethylazanium;methyl sulfate.
Chemical Property Profile of Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, ethylcarbamate
Property Insights of Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, ethylcarbamate
The XLogP value of 1.08 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, ethylcarbamate. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, ethylcarbamate. Following Lipinski's Rule of Five, Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, ethylcarbamate has 1 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, ethylcarbamate?
The CAS number of Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, ethylcarbamate is 64051-20-3.
What is the molecular formula of Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, ethylcarbamate?
The molecular formula of Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, ethylcarbamate is C13H22N2O6S.
What is the molecular weight of Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, ethylcarbamate?
The molecular weight of Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, ethylcarbamate is 334.12 g/mol.
Where can I buy Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, ethylcarbamate?
You can request a quote for Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, ethylcarbamate 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, ethylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, ethylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.