Ammonium, (3-hydroxy-p-tolyl)trimethyl-, methosulfate, methylcarbamate (ester)
TL;DR: Ammonium, (3-hydroxy-p-tolyl)trimethyl-, methosulfate, methylcarbamate (ester) (CAS 64049-85-0) 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.
methyl sulfate;trimethyl-[4-methyl-3-(methylcarbamoyloxy)phenyl]azanium
Also Known As: TL 1185, Ammonium, (3-(methylcarbamoyloxy)-p-tolyl)trimethyl-, methylsulfate, Ammonium, (3-hydroxy-p-tolyl)trimethyl-, methosulfate, methylcarbamate (ester), Carbamic acid, methyl-, 5-(trimethylammonio)-o-tolyl ester, methylsulfate, Carbamic acid, N-methyl-, 2-methyl-5-dimethylaminophenyl ester, methosulfate
| Molecular Formula | C13H22N2O6S |
|---|---|
| Molecular Weight | 334.12 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 334.11984 |
| Heavy Atoms | 22 |
| Complexity | 339.0 |
Chemical Identifiers
| CAS Number | 64049-85-0 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)[N+](C)(C)C)OC(=O)NC.COS(=O)(=O)[O-] |
| InChIKey | CTFXKLOVHQVVPM-UHFFFAOYSA-N |
Product Overview
Ammonium, (3-hydroxy-p-tolyl)trimethyl-, methosulfate, methylcarbamate (ester) (CAS 64049-85-0), with molecular formula C13H22N2O6S and molecular weight 334.12 g/mol. IUPAC: methyl sulfate;trimethyl-[4-methyl-3-(methylcarbamoyloxy)phenyl]azanium.
Chemical Property Profile of Ammonium, (3-hydroxy-p-tolyl)trimethyl-, methosulfate, methylcarbamate (ester)
Property Insights of Ammonium, (3-hydroxy-p-tolyl)trimethyl-, methosulfate, methylcarbamate (ester)
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ammonium, (3-hydroxy-p-tolyl)trimethyl-, methosulfate, methylcarbamate (ester). The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ammonium, (3-hydroxy-p-tolyl)trimethyl-, methosulfate, methylcarbamate (ester). Following Lipinski's Rule of Five, Ammonium, (3-hydroxy-p-tolyl)trimethyl-, methosulfate, methylcarbamate (ester) 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, (3-hydroxy-p-tolyl)trimethyl-, methosulfate, methylcarbamate (ester)?
The CAS number of Ammonium, (3-hydroxy-p-tolyl)trimethyl-, methosulfate, methylcarbamate (ester) is 64049-85-0.
What is the molecular formula of Ammonium, (3-hydroxy-p-tolyl)trimethyl-, methosulfate, methylcarbamate (ester)?
The molecular formula of Ammonium, (3-hydroxy-p-tolyl)trimethyl-, methosulfate, methylcarbamate (ester) is C13H22N2O6S.
What is the molecular weight of Ammonium, (3-hydroxy-p-tolyl)trimethyl-, methosulfate, methylcarbamate (ester)?
The molecular weight of Ammonium, (3-hydroxy-p-tolyl)trimethyl-, methosulfate, methylcarbamate (ester) is 334.12 g/mol.
Where can I buy Ammonium, (3-hydroxy-p-tolyl)trimethyl-, methosulfate, methylcarbamate (ester)?
You can request a quote for Ammonium, (3-hydroxy-p-tolyl)trimethyl-, methosulfate, methylcarbamate (ester) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ammonium, (3-hydroxy-p-tolyl)trimethyl-, methosulfate, methylcarbamate (ester)?
Yes, KEHONG BIO provides custom synthesis services for Ammonium, (3-hydroxy-p-tolyl)trimethyl-, methosulfate, methylcarbamate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.