Phosphorothioic acid, O,O-bis(4-nitrophenyl) O-pentyl ester
TL;DR: Phosphorothioic acid, O,O-bis(4-nitrophenyl) O-pentyl ester (CAS 79985-96-9) is a chemical compound with molecular formula C17H19N2O7PS and molecular weight 426.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(4-nitrophenoxy)-pentoxy-sulfanylidene-λ5-phosphane
Also Known As: bis(4-nitrophenoxy)-pentoxy-sulfanylidene-, Phosphorothioic acid, O,O-bis(4-nitrophenyl) O-pentyl ester, bis(4-nitrophenoxy)-pentoxy-sulfanylidene-, E5-phosphane, O,O-BIS(4-NITROPHENYL) O-PENTYL PHOSPHOROTHIOATE
| Molecular Formula | C17H19N2O7PS |
|---|---|
| Molecular Weight | 426.07 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 151.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 426.06506 |
| Heavy Atoms | 28 |
| Complexity | 513.0 |
Chemical Identifiers
| CAS Number | 79985-96-9 |
|---|---|
| SMILES | CCCCCOP(=S)(OC1=CC=C(C=C1)[N+](=O)[O-])OC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | DYAAZPIOFOUZCT-UHFFFAOYSA-N |
Product Overview
Phosphorothioic acid, O,O-bis(4-nitrophenyl) O-pentyl ester (CAS 79985-96-9), with molecular formula C17H19N2O7PS and molecular weight 426.07 g/mol. IUPAC: bis(4-nitrophenoxy)-pentoxy-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Phosphorothioic acid, O,O-bis(4-nitrophenyl) O-pentyl ester
Property Insights of Phosphorothioic acid, O,O-bis(4-nitrophenyl) O-pentyl ester
The XLogP value of 6.3 indicates that Phosphorothioic acid, O,O-bis(4-nitrophenyl) O-pentyl 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,O-bis(4-nitrophenyl) O-pentyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Phosphorothioic acid, O,O-bis(4-nitrophenyl) O-pentyl 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(4-nitrophenyl) O-pentyl ester?
The CAS number of Phosphorothioic acid, O,O-bis(4-nitrophenyl) O-pentyl ester is 79985-96-9.
What is the molecular formula of Phosphorothioic acid, O,O-bis(4-nitrophenyl) O-pentyl ester?
The molecular formula of Phosphorothioic acid, O,O-bis(4-nitrophenyl) O-pentyl ester is C17H19N2O7PS.
What is the molecular weight of Phosphorothioic acid, O,O-bis(4-nitrophenyl) O-pentyl ester?
The molecular weight of Phosphorothioic acid, O,O-bis(4-nitrophenyl) O-pentyl ester is 426.07 g/mol.
Where can I buy Phosphorothioic acid, O,O-bis(4-nitrophenyl) O-pentyl ester?
You can request a quote for Phosphorothioic acid, O,O-bis(4-nitrophenyl) O-pentyl 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(4-nitrophenyl) O-pentyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorothioic acid, O,O-bis(4-nitrophenyl) O-pentyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.