Phosphonothioic acid, phenyl-, O-methyl O-(p-nitrophenyl) ester
TL;DR: Phosphonothioic acid, phenyl-, O-methyl O-(p-nitrophenyl) ester (CAS 71432-25-2) is a chemical compound with molecular formula C13H12NO4PS and molecular weight 309.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methoxy-(4-nitrophenoxy)-phenyl-sulfanylidene-λ5-phosphane
Also Known As: O-(4-Nitrophenyl) O-methyl phenyl thiophosphonate, O-Methyl O-(p-nitrophenyl) phenylphosphonothioate, Phenylphosphonothioic acid O-methyl O-(4-nitrophenyl) ester, 4-16-00-01089 (Beilstein Handbook Reference), J1.405.830C
| Molecular Formula | C13H12NO4PS |
|---|---|
| Molecular Weight | 309.02 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 96.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 309.02246 |
| Heavy Atoms | 20 |
| Complexity | 373.0 |
Chemical Identifiers
| CAS Number | 71432-25-2 |
|---|---|
| SMILES | COP(=S)(C1=CC=CC=C1)OC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | KJRHXUWMPMFBHR-UHFFFAOYSA-N |
Product Overview
Phosphonothioic acid, phenyl-, O-methyl O-(p-nitrophenyl) ester (CAS 71432-25-2), with molecular formula C13H12NO4PS and molecular weight 309.02 g/mol. IUPAC: methoxy-(4-nitrophenoxy)-phenyl-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Phosphonothioic acid, phenyl-, O-methyl O-(p-nitrophenyl) ester
Property Insights of Phosphonothioic acid, phenyl-, O-methyl O-(p-nitrophenyl) ester
The XLogP value of 4.0 indicates that Phosphonothioic acid, phenyl-, O-methyl O-(p-nitrophenyl) ester 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 Phosphonothioic acid, phenyl-, O-methyl O-(p-nitrophenyl) ester. Following Lipinski's Rule of Five, Phosphonothioic acid, phenyl-, O-methyl O-(p-nitrophenyl) ester 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 Phosphonothioic acid, phenyl-, O-methyl O-(p-nitrophenyl) ester?
The CAS number of Phosphonothioic acid, phenyl-, O-methyl O-(p-nitrophenyl) ester is 71432-25-2.
What is the molecular formula of Phosphonothioic acid, phenyl-, O-methyl O-(p-nitrophenyl) ester?
The molecular formula of Phosphonothioic acid, phenyl-, O-methyl O-(p-nitrophenyl) ester is C13H12NO4PS.
What is the molecular weight of Phosphonothioic acid, phenyl-, O-methyl O-(p-nitrophenyl) ester?
The molecular weight of Phosphonothioic acid, phenyl-, O-methyl O-(p-nitrophenyl) ester is 309.02 g/mol.
Where can I buy Phosphonothioic acid, phenyl-, O-methyl O-(p-nitrophenyl) ester?
You can request a quote for Phosphonothioic acid, phenyl-, O-methyl O-(p-nitrophenyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphonothioic acid, phenyl-, O-methyl O-(p-nitrophenyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphonothioic acid, phenyl-, O-methyl O-(p-nitrophenyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.