Phosphorothioic acid, O-butyl O,O-bis(4-nitrophenyl) ester
TL;DR: Phosphorothioic acid, O-butyl O,O-bis(4-nitrophenyl) ester (CAS 6468-19-5) is a chemical compound with molecular formula C16H17N2O7PS and molecular weight 412.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butoxy-bis(4-nitrophenoxy)-sulfanylidene-λ5-phosphane
Also Known As: o-butyl o,o-bis(4-nitrophenyl) phosphorothioate, butoxy-bis(4-nitrophenoxy)-sulfanylidene-, Phosphorothioic acid, O-butyl O,O-bis(4-nitrophenyl) ester, Butoxy-bis(4-nitrophenoxy)-sulfanylidene-phosphorane, Phosphorothioicacid,o-butyl o,o-bis(4-nitrophenyl)ester
| Molecular Formula | C16H17N2O7PS |
|---|---|
| Molecular Weight | 412.05 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 151.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 412.0494 |
| Heavy Atoms | 27 |
| Complexity | 498.0 |
Chemical Identifiers
| CAS Number | 6468-19-5 |
|---|---|
| SMILES | CCCCOP(=S)(OC1=CC=C(C=C1)[N+](=O)[O-])OC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | JVOKLOBOYSVYRB-UHFFFAOYSA-N |
Product Overview
Phosphorothioic acid, O-butyl O,O-bis(4-nitrophenyl) ester (CAS 6468-19-5), with molecular formula C16H17N2O7PS and molecular weight 412.05 g/mol. IUPAC: butoxy-bis(4-nitrophenoxy)-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Phosphorothioic acid, O-butyl O,O-bis(4-nitrophenyl) ester
Property Insights of Phosphorothioic acid, O-butyl O,O-bis(4-nitrophenyl) ester
The XLogP value of 5.8 indicates that Phosphorothioic acid, O-butyl O,O-bis(4-nitrophenyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 151.0 Ų indicates high polarity, suggesting Phosphorothioic acid, O-butyl O,O-bis(4-nitrophenyl) ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Phosphorothioic acid, O-butyl O,O-bis(4-nitrophenyl) 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-butyl O,O-bis(4-nitrophenyl) ester?
The CAS number of Phosphorothioic acid, O-butyl O,O-bis(4-nitrophenyl) ester is 6468-19-5.
What is the molecular formula of Phosphorothioic acid, O-butyl O,O-bis(4-nitrophenyl) ester?
The molecular formula of Phosphorothioic acid, O-butyl O,O-bis(4-nitrophenyl) ester is C16H17N2O7PS.
What is the molecular weight of Phosphorothioic acid, O-butyl O,O-bis(4-nitrophenyl) ester?
The molecular weight of Phosphorothioic acid, O-butyl O,O-bis(4-nitrophenyl) ester is 412.05 g/mol.
Where can I buy Phosphorothioic acid, O-butyl O,O-bis(4-nitrophenyl) ester?
You can request a quote for Phosphorothioic acid, O-butyl O,O-bis(4-nitrophenyl) 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-butyl O,O-bis(4-nitrophenyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorothioic acid, O-butyl O,O-bis(4-nitrophenyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.