GT 45
TL;DR: GT 45 (CAS 4532-85-8) is a chemical compound with molecular formula C15H28NO7PS2 and molecular weight 429.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-diethoxyphosphorylsulfanylethyl-dimethyl-phenylazanium;methyl sulfate
Also Known As: GT 45, Ammonium, (2-mercaptoethyl)dimethylphenyl-, ethyl sulfate, S-ester with O,O-diethyl phosphorothioate, 2-diethoxyphosphorylsulfanylethyl-dimethyl-phenylazanium; methyl sulfate, O,O-Diethyl-S-(2-(N-methyl-N-phenylamino)ethyl)thiophosphonate methylsulfomethylate, n-{2-[(diethoxyphosphoryl)sulfanyl]ethyl}-n,n-dimethylanilinium methyl sulfate
| Molecular Formula | C15H28NO7PS2 |
|---|---|
| Molecular Weight | 429.10 g/mol |
| LogP | 3.26 |
| Topological Polar Surface Area | 136.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 429.1045 |
| Heavy Atoms | 26 |
| Complexity | 400.0 |
Chemical Identifiers
| CAS Number | 4532-85-8 |
|---|---|
| SMILES | CCOP(=O)(OCC)SCC[N+](C)(C)C1=CC=CC=C1.COS(=O)(=O)[O-] |
| InChIKey | FTGGMOGGNHQENR-UHFFFAOYSA-M |
Product Overview
GT 45 (CAS 4532-85-8), with molecular formula C15H28NO7PS2 and molecular weight 429.10 g/mol. IUPAC: 2-diethoxyphosphorylsulfanylethyl-dimethyl-phenylazanium;methyl sulfate.
Chemical Property Profile of GT 45
Property Insights of GT 45
The XLogP value of 3.26 indicates that GT 45 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for GT 45. Following Lipinski's Rule of Five, GT 45 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 GT 45?
The CAS number of GT 45 is 4532-85-8.
What is the molecular formula of GT 45?
The molecular formula of GT 45 is C15H28NO7PS2.
What is the molecular weight of GT 45?
The molecular weight of GT 45 is 429.10 g/mol.
Where can I buy GT 45?
You can request a quote for GT 45 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for GT 45?
Yes, KEHONG BIO provides custom synthesis services for GT 45 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.