Phosphorothioic acid, O,O-diethyl O-(4-nitro-3-(propylthio)phenyl) ester
TL;DR: Phosphorothioic acid, O,O-diethyl O-(4-nitro-3-(propylthio)phenyl) ester (CAS 1804-58-6) is a chemical compound with molecular formula C13H20NO5PS2 and molecular weight 365.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethoxy-(4-nitro-3-propylsulfanylphenoxy)-sulfanylidene-λ5-phosphane
Also Known As: Bayer 61035, BAY 61035, Phosphorothioic acid, O,O-diethyl O-(4-nitro-3-(propylthio)phenyl) ester, o,o-diethyl o-[4-nitro-3-(propylsulfanyl)phenyl] phosphorothioate, diethoxy-(4-nitro-3-propylsulfanylphenoxy)-sulfanylidene-
| Molecular Formula | C13H20NO5PS2 |
|---|---|
| Molecular Weight | 365.05 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 131.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 365.05206 |
| Heavy Atoms | 22 |
| Complexity | 383.0 |
Chemical Identifiers
| CAS Number | 1804-58-6 |
|---|---|
| SMILES | CCCSC1=C(C=CC(=C1)OP(=S)(OCC)OCC)[N+](=O)[O-] |
| InChIKey | ZKSGWWDZVNFNNT-UHFFFAOYSA-N |
Product Overview
Phosphorothioic acid, O,O-diethyl O-(4-nitro-3-(propylthio)phenyl) ester (CAS 1804-58-6), with molecular formula C13H20NO5PS2 and molecular weight 365.05 g/mol. IUPAC: diethoxy-(4-nitro-3-propylsulfanylphenoxy)-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Phosphorothioic acid, O,O-diethyl O-(4-nitro-3-(propylthio)phenyl) ester
Property Insights of Phosphorothioic acid, O,O-diethyl O-(4-nitro-3-(propylthio)phenyl) ester
The XLogP value of 5.0 indicates that Phosphorothioic acid, O,O-diethyl O-(4-nitro-3-(propylthio)phenyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorothioic acid, O,O-diethyl O-(4-nitro-3-(propylthio)phenyl) ester. Following Lipinski's Rule of Five, Phosphorothioic acid, O,O-diethyl O-(4-nitro-3-(propylthio)phenyl) ester has 0 hydrogen bond donor(s) and 7 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 Phosphorothioic acid, O,O-diethyl O-(4-nitro-3-(propylthio)phenyl) ester?
The CAS number of Phosphorothioic acid, O,O-diethyl O-(4-nitro-3-(propylthio)phenyl) ester is 1804-58-6.
What is the molecular formula of Phosphorothioic acid, O,O-diethyl O-(4-nitro-3-(propylthio)phenyl) ester?
The molecular formula of Phosphorothioic acid, O,O-diethyl O-(4-nitro-3-(propylthio)phenyl) ester is C13H20NO5PS2.
What is the molecular weight of Phosphorothioic acid, O,O-diethyl O-(4-nitro-3-(propylthio)phenyl) ester?
The molecular weight of Phosphorothioic acid, O,O-diethyl O-(4-nitro-3-(propylthio)phenyl) ester is 365.05 g/mol.
Where can I buy Phosphorothioic acid, O,O-diethyl O-(4-nitro-3-(propylthio)phenyl) ester?
You can request a quote for Phosphorothioic acid, O,O-diethyl O-(4-nitro-3-(propylthio)phenyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphorothioic acid, O,O-diethyl O-(4-nitro-3-(propylthio)phenyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorothioic acid, O,O-diethyl O-(4-nitro-3-(propylthio)phenyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.