Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, benzylcarbamate
TL;DR: Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, benzylcarbamate (CAS 64051-16-7) is a chemical compound with molecular formula C18H24N2O6S and molecular weight 396.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(benzylcarbamoyloxy)phenyl]-trimethylazanium;methyl sulfate
Also Known As: AMMONIUM, (m-HYDROXYPHENYL)TRIMETHYL-, METHYLSULFATE, BENZYLCARBAMATE, Benzylcarbamic ester of 3-oxyphenyltrimethylammonium methylsulfate, Ammonium, (3-(N-benzylcarbamoyloxy)phenyl)trimethyl-, methylsulfate, Carbamic acid, N-benzyl-, 3-(trimethylammonio)phenyl ester, methylsulfate, [3-(benzylcarbamoyloxy)phenyl]-trimethylazanium,methyl sulfa
| Molecular Formula | C18H24N2O6S |
|---|---|
| Molecular Weight | 396.14 g/mol |
| LogP | 2.26 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 396.1355 |
| Heavy Atoms | 27 |
| Complexity | 423.0 |
Chemical Identifiers
| CAS Number | 64051-16-7 |
|---|---|
| SMILES | C[N+](C)(C)C1=CC(=CC=C1)OC(=O)NCC2=CC=CC=C2.COS(=O)(=O)[O-] |
| InChIKey | VKULSCWSGRFZCI-UHFFFAOYSA-N |
Product Overview
Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, benzylcarbamate (CAS 64051-16-7), with molecular formula C18H24N2O6S and molecular weight 396.14 g/mol. IUPAC: [3-(benzylcarbamoyloxy)phenyl]-trimethylazanium;methyl sulfate.
Chemical Property Profile of Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, benzylcarbamate
Property Insights of Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, benzylcarbamate
The XLogP value of 2.26 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, benzylcarbamate. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, benzylcarbamate. Following Lipinski's Rule of Five, Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, benzylcarbamate 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, benzylcarbamate?
The CAS number of Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, benzylcarbamate is 64051-16-7.
What is the molecular formula of Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, benzylcarbamate?
The molecular formula of Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, benzylcarbamate is C18H24N2O6S.
What is the molecular weight of Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, benzylcarbamate?
The molecular weight of Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, benzylcarbamate is 396.14 g/mol.
Where can I buy Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, benzylcarbamate?
You can request a quote for Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, benzylcarbamate 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, benzylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, benzylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.