Sulfonium, (3-hydroxyphenyl)dimethyl-, methylsulfate, methylcarbamate
TL;DR: Sulfonium, (3-hydroxyphenyl)dimethyl-, methylsulfate, methylcarbamate (CAS 4109-64-2) is a chemical compound with molecular formula C11H17NO6S2 and molecular weight 323.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl-[3-(methylcarbamoyloxy)phenyl]sulfanium;methyl sulfate
Also Known As: Sulfonium, (3-(methylcarbamoyloxy)phenyl)dimethyl-, methylsulfate, Carbamic acid, N-methyl-, 3-methylthiophenyl ester, methosulfate, Sulfonium, (3-hydroxyphenyl)dimethyl-, methylsulfate, methylcarbamate, dimethyl{3-[(methylcarbamoyl)oxy]phenyl}sulfonium methyl sulfate, dimethyl-[3-(methylcarbamoyloxy)phenyl]sulfanium; methyl sulfate
| Molecular Formula | C11H17NO6S2 |
|---|---|
| Molecular Weight | 323.05 g/mol |
| LogP | 0.73 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 323.04974 |
| Heavy Atoms | 20 |
| Complexity | 287.0 |
Chemical Identifiers
| CAS Number | 4109-64-2 |
|---|---|
| SMILES | CNC(=O)OC1=CC(=CC=C1)[S+](C)C.COS(=O)(=O)[O-] |
| InChIKey | MCVGYBBNVPTENO-UHFFFAOYSA-N |
Product Overview
Sulfonium, (3-hydroxyphenyl)dimethyl-, methylsulfate, methylcarbamate (CAS 4109-64-2), with molecular formula C11H17NO6S2 and molecular weight 323.05 g/mol. IUPAC: dimethyl-[3-(methylcarbamoyloxy)phenyl]sulfanium;methyl sulfate.
Chemical Property Profile of Sulfonium, (3-hydroxyphenyl)dimethyl-, methylsulfate, methylcarbamate
Property Insights of Sulfonium, (3-hydroxyphenyl)dimethyl-, methylsulfate, methylcarbamate
The XLogP value of 0.73 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sulfonium, (3-hydroxyphenyl)dimethyl-, methylsulfate, methylcarbamate. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Sulfonium, (3-hydroxyphenyl)dimethyl-, methylsulfate, methylcarbamate. Following Lipinski's Rule of Five, Sulfonium, (3-hydroxyphenyl)dimethyl-, 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 Sulfonium, (3-hydroxyphenyl)dimethyl-, methylsulfate, methylcarbamate?
The CAS number of Sulfonium, (3-hydroxyphenyl)dimethyl-, methylsulfate, methylcarbamate is 4109-64-2.
What is the molecular formula of Sulfonium, (3-hydroxyphenyl)dimethyl-, methylsulfate, methylcarbamate?
The molecular formula of Sulfonium, (3-hydroxyphenyl)dimethyl-, methylsulfate, methylcarbamate is C11H17NO6S2.
What is the molecular weight of Sulfonium, (3-hydroxyphenyl)dimethyl-, methylsulfate, methylcarbamate?
The molecular weight of Sulfonium, (3-hydroxyphenyl)dimethyl-, methylsulfate, methylcarbamate is 323.05 g/mol.
Where can I buy Sulfonium, (3-hydroxyphenyl)dimethyl-, methylsulfate, methylcarbamate?
You can request a quote for Sulfonium, (3-hydroxyphenyl)dimethyl-, methylsulfate, methylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sulfonium, (3-hydroxyphenyl)dimethyl-, methylsulfate, methylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for Sulfonium, (3-hydroxyphenyl)dimethyl-, methylsulfate, methylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.