Tebupirimfos
TL;DR: Tebupirimfos (CAS 96182-53-5) is a chemical compound with molecular formula C13H23N2O3PS and molecular weight 318.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-tert-butylpyrimidin-5-yl)oxy-ethoxy-propan-2-yloxy-sulfanylidene-λ5-phosphane
Also Known As: Tebupirimfos, Phostebupirim, Tebupirimphos, Tebupirimfos [ISO], bay-mat7484
| Molecular Formula | C13H23N2O3PS |
|---|---|
| Molecular Weight | 318.12 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 85.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 318.1167 |
| Heavy Atoms | 20 |
| Complexity | 339.0 |
| Boiling Point | 152 °C |
| Density | 0.59-0.67 g/cm³ |
| Solubility | Soluble in alcohols, ketones and toluene |
| Vapor Pressure | 0.0000375 [mmHg] |
Chemical Identifiers
| CAS Number | 96182-53-5 |
|---|---|
| SMILES | CCOP(=S)(OC1=CN=C(N=C1)C(C)(C)C)OC(C)C |
| InChIKey | AWYOMXWDGWUJHS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tebupirimfos (CAS 96182-53-5), with molecular formula C13H23N2O3PS and molecular weight 318.12 g/mol. IUPAC: (2-tert-butylpyrimidin-5-yl)oxy-ethoxy-propan-2-yloxy-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Tebupirimfos
Property Insights of Tebupirimfos
The XLogP value of 4.2 indicates that Tebupirimfos is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Tebupirimfos. Following Lipinski's Rule of Five, Tebupirimfos has 0 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 Tebupirimfos?
The CAS number of Tebupirimfos is 96182-53-5.
What is the molecular formula of Tebupirimfos?
The molecular formula of Tebupirimfos is C13H23N2O3PS.
What is the molecular weight of Tebupirimfos?
The molecular weight of Tebupirimfos is 318.12 g/mol.
Where can I buy Tebupirimfos?
You can request a quote for Tebupirimfos directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tebupirimfos?
Yes, KEHONG BIO provides custom synthesis services for Tebupirimfos and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.