Phosphorothioic acid, O,O-bis(2-chloro-4-nitrophenyl) S-(1-methylethyl) ester
TL;DR: Phosphorothioic acid, O,O-bis(2-chloro-4-nitrophenyl) S-(1-methylethyl) ester (CAS 120244-67-9) is a chemical compound with molecular formula C15H13Cl2N2O7PS and molecular weight 465.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-1-[(2-chloro-4-nitrophenoxy)-propan-2-ylsulfanylphosphoryl]oxy-4-nitrobenzene
Also Known As: Phosphorothioic acid, O,O-bis(2-chloro-4-nitrophenyl) S-(1-methylethyl) ester, O,O-Bis(2-chloro-4-nitrophenyl) S-(propan-2-yl) phosphorothioate, 2-chloro-1-[(2-chloro-4-nitro-phenoxy)-propan-2-ylsulfanyl-phosphoryl]oxy-4-nitro-benzene, 2-chloro-1-[(2-chloro-4-nitrophenoxy)-propan-2-ylsulfanylphosphoryl]oxy-4-nitrobenzene
| Molecular Formula | C15H13Cl2N2O7PS |
|---|---|
| Molecular Weight | 465.96 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 152.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 465.9558 |
| Heavy Atoms | 28 |
| Complexity | 574.0 |
Chemical Identifiers
| CAS Number | 120244-67-9 |
|---|---|
| SMILES | CC(C)SP(=O)(OC1=C(C=C(C=C1)[N+](=O)[O-])Cl)OC2=C(C=C(C=C2)[N+](=O)[O-])Cl |
| InChIKey | GHJZOWHDFOWATD-UHFFFAOYSA-N |
Product Overview
Phosphorothioic acid, O,O-bis(2-chloro-4-nitrophenyl) S-(1-methylethyl) ester (CAS 120244-67-9), with molecular formula C15H13Cl2N2O7PS and molecular weight 465.96 g/mol. IUPAC: 2-chloro-1-[(2-chloro-4-nitrophenoxy)-propan-2-ylsulfanylphosphoryl]oxy-4-nitrobenzene.
Chemical Property Profile of Phosphorothioic acid, O,O-bis(2-chloro-4-nitrophenyl) S-(1-methylethyl) ester
Property Insights of Phosphorothioic acid, O,O-bis(2-chloro-4-nitrophenyl) S-(1-methylethyl) ester
The XLogP value of 5.3 indicates that Phosphorothioic acid, O,O-bis(2-chloro-4-nitrophenyl) S-(1-methylethyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 152.0 Ų indicates high polarity, suggesting Phosphorothioic acid, O,O-bis(2-chloro-4-nitrophenyl) S-(1-methylethyl) ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Phosphorothioic acid, O,O-bis(2-chloro-4-nitrophenyl) S-(1-methylethyl) ester 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 Phosphorothioic acid, O,O-bis(2-chloro-4-nitrophenyl) S-(1-methylethyl) ester?
The CAS number of Phosphorothioic acid, O,O-bis(2-chloro-4-nitrophenyl) S-(1-methylethyl) ester is 120244-67-9.
What is the molecular formula of Phosphorothioic acid, O,O-bis(2-chloro-4-nitrophenyl) S-(1-methylethyl) ester?
The molecular formula of Phosphorothioic acid, O,O-bis(2-chloro-4-nitrophenyl) S-(1-methylethyl) ester is C15H13Cl2N2O7PS.
What is the molecular weight of Phosphorothioic acid, O,O-bis(2-chloro-4-nitrophenyl) S-(1-methylethyl) ester?
The molecular weight of Phosphorothioic acid, O,O-bis(2-chloro-4-nitrophenyl) S-(1-methylethyl) ester is 465.96 g/mol.
Where can I buy Phosphorothioic acid, O,O-bis(2-chloro-4-nitrophenyl) S-(1-methylethyl) ester?
You can request a quote for Phosphorothioic acid, O,O-bis(2-chloro-4-nitrophenyl) S-(1-methylethyl) 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-bis(2-chloro-4-nitrophenyl) S-(1-methylethyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorothioic acid, O,O-bis(2-chloro-4-nitrophenyl) S-(1-methylethyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.