Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, di-sec-butylphosphate
TL;DR: Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, di-sec-butylphosphate (CAS 77967-13-6) is a chemical compound with molecular formula C18H34NO8PS and molecular weight 455.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-di(butan-2-yloxy)phosphoryloxyphenyl]-trimethylazanium;methyl sulfate
Also Known As: Di-sec-butylphosphostigmine, Ro 3-0397, (m-Hydroxyphenyl)-trimethylammonium methylsulfate di-sec-butylphosphate, m-(Di-sec-butylphosphato)-N-trimethylanilinium methylsulfate, AMMONIUM, (m-HYDROXYPHENYL)TRIMETHYL-, METHYLSULFATE, DI-sec-BUTYLPHOSPHATE
| Molecular Formula | C18H34NO8PS |
|---|---|
| Molecular Weight | 455.17 g/mol |
| LogP | 4.09 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 455.1743 |
| Heavy Atoms | 29 |
| Complexity | 471.0 |
Chemical Identifiers
| CAS Number | 77967-13-6 |
|---|---|
| SMILES | CCC(C)OP(=O)(OC1=CC=CC(=C1)[N+](C)(C)C)OC(C)CC.COS(=O)(=O)[O-] |
| InChIKey | PRCOBLDZUHJLFC-UHFFFAOYSA-M |
Product Overview
Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, di-sec-butylphosphate (CAS 77967-13-6), with molecular formula C18H34NO8PS and molecular weight 455.17 g/mol. IUPAC: [3-di(butan-2-yloxy)phosphoryloxyphenyl]-trimethylazanium;methyl sulfate.
Chemical Property Profile of Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, di-sec-butylphosphate
Property Insights of Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, di-sec-butylphosphate
The XLogP value of 4.09 indicates that Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, di-sec-butylphosphate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, di-sec-butylphosphate. Following Lipinski's Rule of Five, Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, di-sec-butylphosphate has 0 hydrogen bond donor(s) and 8 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, di-sec-butylphosphate?
The CAS number of Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, di-sec-butylphosphate is 77967-13-6.
What is the molecular formula of Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, di-sec-butylphosphate?
The molecular formula of Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, di-sec-butylphosphate is C18H34NO8PS.
What is the molecular weight of Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, di-sec-butylphosphate?
The molecular weight of Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, di-sec-butylphosphate is 455.17 g/mol.
Where can I buy Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, di-sec-butylphosphate?
You can request a quote for Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, di-sec-butylphosphate 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, di-sec-butylphosphate?
Yes, KEHONG BIO provides custom synthesis services for Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, di-sec-butylphosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.