Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, pentamethylenecarbamate
TL;DR: Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, pentamethylenecarbamate (CAS 64050-81-3) is a chemical compound with molecular formula C16H26N2O6S and molecular weight 374.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl sulfate;trimethyl-[3-(piperidine-1-carbonyloxy)phenyl]azanium
Also Known As: AMMONIUM, (m-HYDROXYPHENYL)TRIMETHYL-, METHYLSULFATE, PENTAMETHYLENECARBAMATE, Pentamethylenecarbamic ester of 3-oxyphenyltrimethylammonium methylsulfate, Ammonium, (3-(pentamethylenecarbamoyloxy)phenyl)trimethyl-, methylsulfate, Carbamic acid, N,N-pentamethylene-, 3-dimethylaminophenyl ester, methosulfate, Carbamic acid, pentamethylene-, m-(trimethylammonio)phenyl ester, methylsulfate
| Molecular Formula | C16H26N2O6S |
|---|---|
| Molecular Weight | 374.15 g/mol |
| LogP | 1.96 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 374.15115 |
| Heavy Atoms | 25 |
| Complexity | 396.0 |
Chemical Identifiers
| CAS Number | 64050-81-3 |
|---|---|
| SMILES | C[N+](C)(C)C1=CC(=CC=C1)OC(=O)N2CCCCC2.COS(=O)(=O)[O-] |
| InChIKey | DZNDVMSNQGABIN-UHFFFAOYSA-M |
Product Overview
Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, pentamethylenecarbamate (CAS 64050-81-3), with molecular formula C16H26N2O6S and molecular weight 374.15 g/mol. IUPAC: methyl sulfate;trimethyl-[3-(piperidine-1-carbonyloxy)phenyl]azanium.
Chemical Property Profile of Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, pentamethylenecarbamate
Property Insights of Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, pentamethylenecarbamate
The XLogP value of 1.96 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, pentamethylenecarbamate. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, pentamethylenecarbamate. Following Lipinski's Rule of Five, Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, pentamethylenecarbamate 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, pentamethylenecarbamate?
The CAS number of Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, pentamethylenecarbamate is 64050-81-3.
What is the molecular formula of Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, pentamethylenecarbamate?
The molecular formula of Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, pentamethylenecarbamate is C16H26N2O6S.
What is the molecular weight of Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, pentamethylenecarbamate?
The molecular weight of Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, pentamethylenecarbamate is 374.15 g/mol.
Where can I buy Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, pentamethylenecarbamate?
You can request a quote for Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, pentamethylenecarbamate 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, pentamethylenecarbamate?
Yes, KEHONG BIO provides custom synthesis services for Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, pentamethylenecarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.