Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, phenylcarbamate
TL;DR: Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, phenylcarbamate (CAS 64050-83-5) is a chemical compound with molecular formula C17H22N2O6S and molecular weight 382.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl sulfate;trimethyl-[3-(phenylcarbamoyloxy)phenyl]azanium
Also Known As: AMMONIUM, (m-HYDROXYPHENYL)TRIMETHYL-, METHYLSULFATE, PHENYLCARBAMATE, Phenylcarbamic ester of 3-oxyphenyltrimethylammonium methylsulfate, Ammonium, (3-(N-phenylcarbamoyloxy)phenyl)trimethyl-, methylsulfate, Carbamic acid, N-phenyl-, 3-(trimethylammonio)phenyl ester, methylsulfate, methyl sulfate,trimethyl-[3-(phenylcarbamoyloxy)phenyl]azani
| Molecular Formula | C17H22N2O6S |
|---|---|
| Molecular Weight | 382.12 g/mol |
| LogP | 2.59 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 382.11984 |
| Heavy Atoms | 26 |
| Complexity | 410.0 |
Chemical Identifiers
| CAS Number | 64050-83-5 |
|---|---|
| SMILES | C[N+](C)(C)C1=CC(=CC=C1)OC(=O)NC2=CC=CC=C2.COS(=O)(=O)[O-] |
| InChIKey | CQGHRZNZXOPOFO-UHFFFAOYSA-N |
Product Overview
Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, phenylcarbamate (CAS 64050-83-5), with molecular formula C17H22N2O6S and molecular weight 382.12 g/mol. IUPAC: methyl sulfate;trimethyl-[3-(phenylcarbamoyloxy)phenyl]azanium.
Chemical Property Profile of Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, phenylcarbamate
Property Insights of Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, phenylcarbamate
The XLogP value of 2.59 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, phenylcarbamate. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, phenylcarbamate. Following Lipinski's Rule of Five, Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, phenylcarbamate 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, phenylcarbamate?
The CAS number of Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, phenylcarbamate is 64050-83-5.
What is the molecular formula of Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, phenylcarbamate?
The molecular formula of Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, phenylcarbamate is C17H22N2O6S.
What is the molecular weight of Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, phenylcarbamate?
The molecular weight of Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, phenylcarbamate is 382.12 g/mol.
Where can I buy Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, phenylcarbamate?
You can request a quote for Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, phenylcarbamate 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, phenylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, phenylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.