Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, methylcarbamate
TL;DR: Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, methylcarbamate (CAS 64050-77-7) is a chemical compound with molecular formula C12H20N2O6S and molecular weight 320.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl sulfate;trimethyl-[3-(methylcarbamoyloxy)phenyl]azanium
Also Known As: Neostigmine Impurity 5, Neostigmine Impurity N2, Neostigmine Impurity 21, NEOSTIGMINE METHYLSULFATE, Neostigmine Impurity 13 Metilsulfate
| Molecular Formula | C12H20N2O6S |
|---|---|
| Molecular Weight | 320.10 g/mol |
| LogP | 0.69 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 320.10422 |
| Heavy Atoms | 21 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 64050-77-7 |
|---|---|
| SMILES | CNC(=O)OC1=CC=CC(=C1)[N+](C)(C)C.COS(=O)(=O)[O-] |
| InChIKey | RLOBKDKQCFKARS-UHFFFAOYSA-N |
Product Overview
Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, methylcarbamate (CAS 64050-77-7), with molecular formula C12H20N2O6S and molecular weight 320.10 g/mol. IUPAC: methyl sulfate;trimethyl-[3-(methylcarbamoyloxy)phenyl]azanium.
Chemical Property Profile of Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, methylcarbamate
Property Insights of Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, methylcarbamate
The XLogP value of 0.69 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, methylcarbamate. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, methylcarbamate. Following Lipinski's Rule of Five, Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, methylcarbamate 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, methylcarbamate?
The CAS number of Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, methylcarbamate is 64050-77-7.
What is the molecular formula of Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, methylcarbamate?
The molecular formula of Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, methylcarbamate is C12H20N2O6S.
What is the molecular weight of Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, methylcarbamate?
The molecular weight of Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, methylcarbamate is 320.10 g/mol.
Where can I buy Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, methylcarbamate?
You can request a quote for Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, methylcarbamate 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, methylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, methylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.