Bis-Fenitrothion
TL;DR: Bis-Fenitrothion (CAS 4901-42-2) is a chemical compound with molecular formula C15H15N2O7PS and molecular weight 398.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methoxy-bis(3-methyl-4-nitrophenoxy)-sulfanylidene-λ5-phosphane
Also Known As: Bis-fenitrothion, Bisfenitrothion, O-MethylO,O-bis phosphorothioate, O-Methyl O,O-bis(3-methyl-4-nitrophenyl) phosphorothioate, 2-Iodo-1-methyl-1H-indole-3-carbonitrile
| Molecular Formula | C15H15N2O7PS |
|---|---|
| Molecular Weight | 398.03 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 151.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 398.03375 |
| Heavy Atoms | 26 |
| Complexity | 523.0 |
Chemical Identifiers
| CAS Number | 4901-42-2 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)OP(=S)(OC)OC2=CC(=C(C=C2)[N+](=O)[O-])C)[N+](=O)[O-] |
| InChIKey | QAZKYCDDQSMQFA-UHFFFAOYSA-N |
Product Overview
Bis-Fenitrothion (CAS 4901-42-2), with molecular formula C15H15N2O7PS and molecular weight 398.03 g/mol. IUPAC: methoxy-bis(3-methyl-4-nitrophenoxy)-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Bis-Fenitrothion
Property Insights of Bis-Fenitrothion
The XLogP value of 5.3 indicates that Bis-Fenitrothion is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 151.0 Ų indicates high polarity, suggesting Bis-Fenitrothion may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bis-Fenitrothion has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bis-Fenitrothion?
The CAS number of Bis-Fenitrothion is 4901-42-2.
What is the molecular formula of Bis-Fenitrothion?
The molecular formula of Bis-Fenitrothion is C15H15N2O7PS.
What is the molecular weight of Bis-Fenitrothion?
The molecular weight of Bis-Fenitrothion is 398.03 g/mol.
Where can I buy Bis-Fenitrothion?
You can request a quote for Bis-Fenitrothion directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis-Fenitrothion?
Yes, KEHONG BIO provides custom synthesis services for Bis-Fenitrothion and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.