O,O-Bis(4-nitrophenyl) phosphorochloridothioate
TL;DR: O,O-Bis(4-nitrophenyl) phosphorochloridothioate (CAS 52678-80-5) is a chemical compound with molecular formula C12H8ClN2O6PS and molecular weight 373.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
chloro-bis(4-nitrophenoxy)-sulfanylidene-λ5-phosphane
Also Known As: BIS(4-NITROPHENYL) PHOSPHOROCHLORIDOTHIOATE, bis(p-nitrophenyl) thiophosphorochloridate, chloro-bis(4-nitrophenoxy)-sulfanylidene-, O,O-Bis(4-nitrophenyl) phosphorochloridothioate, J1.073.168B
| Molecular Formula | C12H8ClN2O6PS |
|---|---|
| Molecular Weight | 373.95 g/mol |
| LogP | 4.4241 |
| Topological Polar Surface Area | 104.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 373.9529 |
| Heavy Atoms | 23 |
| Complexity | 719.6428 |
Chemical Identifiers
| CAS Number | 52678-80-5 |
|---|---|
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])OP(=S)(OC2=CC=C(C=C2)[N+](=O)[O-])Cl |
Product Overview
O,O-Bis(4-nitrophenyl) phosphorochloridothioate (CAS 52678-80-5), with molecular formula C12H8ClN2O6PS and molecular weight 373.95 g/mol. IUPAC: chloro-bis(4-nitrophenoxy)-sulfanylidene-λ5-phosphane.
Chemical Property Profile of O,O-Bis(4-nitrophenyl) phosphorochloridothioate
Property Insights of O,O-Bis(4-nitrophenyl) phosphorochloridothioate
The XLogP value of 4.4241 indicates that O,O-Bis(4-nitrophenyl) phosphorochloridothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.74 Ų falls within the moderate polarity range, balancing permeability and solubility for O,O-Bis(4-nitrophenyl) phosphorochloridothioate. Following Lipinski's Rule of Five, O,O-Bis(4-nitrophenyl) phosphorochloridothioate 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 O,O-Bis(4-nitrophenyl) phosphorochloridothioate?
The CAS number of O,O-Bis(4-nitrophenyl) phosphorochloridothioate is 52678-80-5.
What is the molecular formula of O,O-Bis(4-nitrophenyl) phosphorochloridothioate?
The molecular formula of O,O-Bis(4-nitrophenyl) phosphorochloridothioate is C12H8ClN2O6PS.
What is the molecular weight of O,O-Bis(4-nitrophenyl) phosphorochloridothioate?
The molecular weight of O,O-Bis(4-nitrophenyl) phosphorochloridothioate is 373.95 g/mol.
Where can I buy O,O-Bis(4-nitrophenyl) phosphorochloridothioate?
You can request a quote for O,O-Bis(4-nitrophenyl) phosphorochloridothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O,O-Bis(4-nitrophenyl) phosphorochloridothioate?
Yes, KEHONG BIO provides custom synthesis services for O,O-Bis(4-nitrophenyl) phosphorochloridothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.