Dimethylphosphostigmine
TL;DR: Dimethylphosphostigmine (CAS 77967-17-0) is a chemical compound with molecular formula C12H22NO8PS and molecular weight 371.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-dimethoxyphosphoryloxyphenyl)-trimethylazanium;methyl sulfate
Also Known As: Dimethylphosphostigmine, Ro 3-0412, m-(Dimethylphosphato)-N-trimethylanilinium methylsulfate, (m-Hydroxyphenyl)-trimethylammonium methylsulfate dimethylphosphate, AMMONIUM, (m-HYDROXYPHENYL)TRIMETHYL-, METHYLSULFATE, DIMETHYLPHOSPHATE
| Molecular Formula | C12H22NO8PS |
|---|---|
| Molecular Weight | 371.08 g/mol |
| LogP | 1.76 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 371.08038 |
| Heavy Atoms | 23 |
| Complexity | 372.0 |
Chemical Identifiers
| CAS Number | 77967-17-0 |
|---|---|
| SMILES | C[N+](C)(C)C1=CC(=CC=C1)OP(=O)(OC)OC.COS(=O)(=O)[O-] |
| InChIKey | SEPBMCLYOUSLFT-UHFFFAOYSA-M |
Product Overview
Dimethylphosphostigmine (CAS 77967-17-0), with molecular formula C12H22NO8PS and molecular weight 371.08 g/mol. IUPAC: (3-dimethoxyphosphoryloxyphenyl)-trimethylazanium;methyl sulfate.
Chemical Property Profile of Dimethylphosphostigmine
Property Insights of Dimethylphosphostigmine
The XLogP value of 1.76 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethylphosphostigmine. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethylphosphostigmine. Following Lipinski's Rule of Five, Dimethylphosphostigmine 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 Dimethylphosphostigmine?
The CAS number of Dimethylphosphostigmine is 77967-17-0.
What is the molecular formula of Dimethylphosphostigmine?
The molecular formula of Dimethylphosphostigmine is C12H22NO8PS.
What is the molecular weight of Dimethylphosphostigmine?
The molecular weight of Dimethylphosphostigmine is 371.08 g/mol.
Where can I buy Dimethylphosphostigmine?
You can request a quote for Dimethylphosphostigmine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethylphosphostigmine?
Yes, KEHONG BIO provides custom synthesis services for Dimethylphosphostigmine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.