Phosphorothioic acid, O-(2-methoxyethyl) O,O-bis(4-nitrophenyl) ester
TL;DR: Phosphorothioic acid, O-(2-methoxyethyl) O,O-bis(4-nitrophenyl) ester (CAS 68162-91-4) is a chemical compound with molecular formula C15H15N2O8PS and molecular weight 414.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxyethoxy-bis(4-nitrophenoxy)-sulfanylidene-λ5-phosphane
Also Known As: s-Trioxane, 2,4,6-triisobutyl-, 2-methoxyethoxy-bis(4-nitrophenoxy)-sulfanylidene-, Phosphorothioic acid, O-(2-methoxyethyl) O,O-bis(4-nitrophenyl) ester, O-(2-methoxyethyl) O,O-bis(4-nitrophenyl) phosphorothioate
| Molecular Formula | C15H15N2O8PS |
|---|---|
| Molecular Weight | 414.03 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 161.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 414.0287 |
| Heavy Atoms | 27 |
| Complexity | 499.0 |
Chemical Identifiers
| CAS Number | 68162-91-4 |
|---|---|
| SMILES | COCCOP(=S)(OC1=CC=C(C=C1)[N+](=O)[O-])OC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | ZWVUAAGUBUGBGU-UHFFFAOYSA-N |
Product Overview
Phosphorothioic acid, O-(2-methoxyethyl) O,O-bis(4-nitrophenyl) ester (CAS 68162-91-4), with molecular formula C15H15N2O8PS and molecular weight 414.03 g/mol. IUPAC: 2-methoxyethoxy-bis(4-nitrophenoxy)-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Phosphorothioic acid, O-(2-methoxyethyl) O,O-bis(4-nitrophenyl) ester
Property Insights of Phosphorothioic acid, O-(2-methoxyethyl) O,O-bis(4-nitrophenyl) ester
The XLogP value of 4.4 indicates that Phosphorothioic acid, O-(2-methoxyethyl) O,O-bis(4-nitrophenyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 161.0 Ų indicates high polarity, suggesting Phosphorothioic acid, O-(2-methoxyethyl) O,O-bis(4-nitrophenyl) ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Phosphorothioic acid, O-(2-methoxyethyl) O,O-bis(4-nitrophenyl) ester has 0 hydrogen bond donor(s) and 9 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 Phosphorothioic acid, O-(2-methoxyethyl) O,O-bis(4-nitrophenyl) ester?
The CAS number of Phosphorothioic acid, O-(2-methoxyethyl) O,O-bis(4-nitrophenyl) ester is 68162-91-4.
What is the molecular formula of Phosphorothioic acid, O-(2-methoxyethyl) O,O-bis(4-nitrophenyl) ester?
The molecular formula of Phosphorothioic acid, O-(2-methoxyethyl) O,O-bis(4-nitrophenyl) ester is C15H15N2O8PS.
What is the molecular weight of Phosphorothioic acid, O-(2-methoxyethyl) O,O-bis(4-nitrophenyl) ester?
The molecular weight of Phosphorothioic acid, O-(2-methoxyethyl) O,O-bis(4-nitrophenyl) ester is 414.03 g/mol.
Where can I buy Phosphorothioic acid, O-(2-methoxyethyl) O,O-bis(4-nitrophenyl) ester?
You can request a quote for Phosphorothioic acid, O-(2-methoxyethyl) 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-(2-methoxyethyl) O,O-bis(4-nitrophenyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorothioic acid, O-(2-methoxyethyl) O,O-bis(4-nitrophenyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.