Phosphorothioic acid, O,O-diisopropyl O-(4-nitro-m-tolyl) ester
TL;DR: Phosphorothioic acid, O,O-diisopropyl O-(4-nitro-m-tolyl) ester (CAS 6301-69-5) is a chemical compound with molecular formula C13H20NO5PS and molecular weight 333.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-methyl-4-nitrophenoxy)-di(propan-2-yloxy)-sulfanylidene-λ5-phosphane
Also Known As: O,O-Diisopropyl O-(4-nitro-m-tolyl) phosphorothioate, Phosphorothioic acid, O,O-diisopropyl O-(4-nitro-m-tolyl) ester, o-(3-methyl-4-nitrophenyl) o,o-dipropan-2-yl phosphorothioate, (3-methyl-4-nitrophenoxy)-di(propan-2-yloxy)-sulfanylidene-, O-(3-Methyl-4-nitrophenyl) O,O-di(propan-2-yl) phosphorothioate
| Molecular Formula | C13H20NO5PS |
|---|---|
| Molecular Weight | 333.08 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 333.08 |
| Heavy Atoms | 21 |
| Complexity | 385.0 |
Chemical Identifiers
| CAS Number | 6301-69-5 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)OP(=S)(OC(C)C)OC(C)C)[N+](=O)[O-] |
| InChIKey | AKJOMSKIHJWXAW-UHFFFAOYSA-N |
Product Overview
Phosphorothioic acid, O,O-diisopropyl O-(4-nitro-m-tolyl) ester (CAS 6301-69-5), with molecular formula C13H20NO5PS and molecular weight 333.08 g/mol. IUPAC: (3-methyl-4-nitrophenoxy)-di(propan-2-yloxy)-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Phosphorothioic acid, O,O-diisopropyl O-(4-nitro-m-tolyl) ester
Property Insights of Phosphorothioic acid, O,O-diisopropyl O-(4-nitro-m-tolyl) ester
The XLogP value of 4.9 indicates that Phosphorothioic acid, O,O-diisopropyl O-(4-nitro-m-tolyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorothioic acid, O,O-diisopropyl O-(4-nitro-m-tolyl) ester. Following Lipinski's Rule of Five, Phosphorothioic acid, O,O-diisopropyl O-(4-nitro-m-tolyl) ester has 0 hydrogen bond donor(s) and 6 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,O-diisopropyl O-(4-nitro-m-tolyl) ester?
The CAS number of Phosphorothioic acid, O,O-diisopropyl O-(4-nitro-m-tolyl) ester is 6301-69-5.
What is the molecular formula of Phosphorothioic acid, O,O-diisopropyl O-(4-nitro-m-tolyl) ester?
The molecular formula of Phosphorothioic acid, O,O-diisopropyl O-(4-nitro-m-tolyl) ester is C13H20NO5PS.
What is the molecular weight of Phosphorothioic acid, O,O-diisopropyl O-(4-nitro-m-tolyl) ester?
The molecular weight of Phosphorothioic acid, O,O-diisopropyl O-(4-nitro-m-tolyl) ester is 333.08 g/mol.
Where can I buy Phosphorothioic acid, O,O-diisopropyl O-(4-nitro-m-tolyl) ester?
You can request a quote for Phosphorothioic acid, O,O-diisopropyl O-(4-nitro-m-tolyl) 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-diisopropyl O-(4-nitro-m-tolyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorothioic acid, O,O-diisopropyl O-(4-nitro-m-tolyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.