O-(4-Nitrophenyl) O-propan-2-yl propan-2-ylphosphonothioate
TL;DR: O-(4-Nitrophenyl) O-propan-2-yl propan-2-ylphosphonothioate (CAS 6307-47-7) is a chemical compound with molecular formula C12H18NO4PS and molecular weight 303.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenoxy)-propan-2-yl-propan-2-yloxy-sulfanylidene-λ5-phosphane
Also Known As: O-Isopropyl O-(p-nitrophenyl) isopropylphosphonothioate, o-(4-nitrophenyl) o-propan-2-yl propan-2-ylphosphonothioate, (4-nitrophenoxy)-propan-2-yl-propan-2-yloxy-sulfanylidene-, Phosphonothioic acid, isopropyl-, O-isopropyl O-(p-nitrophenyl) ester, O-(4-Nitrophenyl) O-(propan-2-yl) propan-2-ylphosphonothioate
| Molecular Formula | C12H18NO4PS |
|---|---|
| Molecular Weight | 303.07 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 96.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 303.06943 |
| Heavy Atoms | 19 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 6307-47-7 |
|---|---|
| SMILES | CC(C)OP(=S)(C(C)C)OC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | MVGQNOQXBRFWJO-UHFFFAOYSA-N |
Product Overview
O-(4-Nitrophenyl) O-propan-2-yl propan-2-ylphosphonothioate (CAS 6307-47-7), with molecular formula C12H18NO4PS and molecular weight 303.07 g/mol. IUPAC: (4-nitrophenoxy)-propan-2-yl-propan-2-yloxy-sulfanylidene-λ5-phosphane.
Chemical Property Profile of O-(4-Nitrophenyl) O-propan-2-yl propan-2-ylphosphonothioate
Property Insights of O-(4-Nitrophenyl) O-propan-2-yl propan-2-ylphosphonothioate
The XLogP value of 4.4 indicates that O-(4-Nitrophenyl) O-propan-2-yl propan-2-ylphosphonothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.4 Ų falls within the moderate polarity range, balancing permeability and solubility for O-(4-Nitrophenyl) O-propan-2-yl propan-2-ylphosphonothioate. Following Lipinski's Rule of Five, O-(4-Nitrophenyl) O-propan-2-yl propan-2-ylphosphonothioate has 0 hydrogen bond donor(s) and 5 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 O-(4-Nitrophenyl) O-propan-2-yl propan-2-ylphosphonothioate?
The CAS number of O-(4-Nitrophenyl) O-propan-2-yl propan-2-ylphosphonothioate is 6307-47-7.
What is the molecular formula of O-(4-Nitrophenyl) O-propan-2-yl propan-2-ylphosphonothioate?
The molecular formula of O-(4-Nitrophenyl) O-propan-2-yl propan-2-ylphosphonothioate is C12H18NO4PS.
What is the molecular weight of O-(4-Nitrophenyl) O-propan-2-yl propan-2-ylphosphonothioate?
The molecular weight of O-(4-Nitrophenyl) O-propan-2-yl propan-2-ylphosphonothioate is 303.07 g/mol.
Where can I buy O-(4-Nitrophenyl) O-propan-2-yl propan-2-ylphosphonothioate?
You can request a quote for O-(4-Nitrophenyl) O-propan-2-yl propan-2-ylphosphonothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-(4-Nitrophenyl) O-propan-2-yl propan-2-ylphosphonothioate?
Yes, KEHONG BIO provides custom synthesis services for O-(4-Nitrophenyl) O-propan-2-yl propan-2-ylphosphonothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.