Phosphorothioic acid, O-ethyl O-(4'-nitro(1,1'-biphenyl)-4-yl) O-phenyl ester
TL;DR: Phosphorothioic acid, O-ethyl O-(4'-nitro(1,1'-biphenyl)-4-yl) O-phenyl ester (CAS 122862-00-4) is a chemical compound with molecular formula C20H18NO5PS and molecular weight 415.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethoxy-[4-(4-nitrophenyl)phenoxy]-phenoxy-sulfanylidene-λ5-phosphane
Also Known As: ethoxy-[4-(4-nitrophenyl)phenoxy]-phenoxy-sulfanylidene-, Phosphorothioic acid, O-ethyl O-(4'-nitro(1,1'-biphenyl)-4-yl) O-phenyl ester, Ethoxy-[4-(4-nitrophenyl)phenoxy]-phenoxy-sulfanylidene-phosphorane, O-Ethyl O-(4'-nitro[1,1'-biphenyl]-4-yl) O-phenyl phosphorothioate
| Molecular Formula | C20H18NO5PS |
|---|---|
| Molecular Weight | 415.06 g/mol |
| LogP | 6.7 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 415.06433 |
| Heavy Atoms | 28 |
| Complexity | 535.0 |
Chemical Identifiers
| CAS Number | 122862-00-4 |
|---|---|
| SMILES | CCOP(=S)(OC1=CC=CC=C1)OC2=CC=C(C=C2)C3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | RGCKTAZYENJVRT-UHFFFAOYSA-N |
Product Overview
Phosphorothioic acid, O-ethyl O-(4'-nitro(1,1'-biphenyl)-4-yl) O-phenyl ester (CAS 122862-00-4), with molecular formula C20H18NO5PS and molecular weight 415.06 g/mol. IUPAC: ethoxy-[4-(4-nitrophenyl)phenoxy]-phenoxy-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Phosphorothioic acid, O-ethyl O-(4'-nitro(1,1'-biphenyl)-4-yl) O-phenyl ester
Property Insights of Phosphorothioic acid, O-ethyl O-(4'-nitro(1,1'-biphenyl)-4-yl) O-phenyl ester
The XLogP value of 6.7 indicates that Phosphorothioic acid, O-ethyl O-(4'-nitro(1,1'-biphenyl)-4-yl) O-phenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorothioic acid, O-ethyl O-(4'-nitro(1,1'-biphenyl)-4-yl) O-phenyl ester. Following Lipinski's Rule of Five, Phosphorothioic acid, O-ethyl O-(4'-nitro(1,1'-biphenyl)-4-yl) O-phenyl ester has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phosphorothioic acid, O-ethyl O-(4'-nitro(1,1'-biphenyl)-4-yl) O-phenyl ester?
The CAS number of Phosphorothioic acid, O-ethyl O-(4'-nitro(1,1'-biphenyl)-4-yl) O-phenyl ester is 122862-00-4.
What is the molecular formula of Phosphorothioic acid, O-ethyl O-(4'-nitro(1,1'-biphenyl)-4-yl) O-phenyl ester?
The molecular formula of Phosphorothioic acid, O-ethyl O-(4'-nitro(1,1'-biphenyl)-4-yl) O-phenyl ester is C20H18NO5PS.
What is the molecular weight of Phosphorothioic acid, O-ethyl O-(4'-nitro(1,1'-biphenyl)-4-yl) O-phenyl ester?
The molecular weight of Phosphorothioic acid, O-ethyl O-(4'-nitro(1,1'-biphenyl)-4-yl) O-phenyl ester is 415.06 g/mol.
Where can I buy Phosphorothioic acid, O-ethyl O-(4'-nitro(1,1'-biphenyl)-4-yl) O-phenyl ester?
You can request a quote for Phosphorothioic acid, O-ethyl O-(4'-nitro(1,1'-biphenyl)-4-yl) O-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-ethyl O-(4'-nitro(1,1'-biphenyl)-4-yl) O-phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorothioic acid, O-ethyl O-(4'-nitro(1,1'-biphenyl)-4-yl) O-phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.