Phosphonothioic acid, phenyl-, O-(4-nitrophenyl) S-propyl ester
TL;DR: Phosphonothioic acid, phenyl-, O-(4-nitrophenyl) S-propyl ester (CAS 122631-72-5) is a chemical compound with molecular formula C15H16NO4PS and molecular weight 337.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-nitro-4-[phenyl(propylsulfanyl)phosphoryl]oxybenzene
Also Known As: O-(4-nitrophenyl) S-propyl phenylphosphonothioate, Phosphonothioic acid, phenyl-, O-(4-nitrophenyl) S-propyl ester, 1-nitro-4-[phenyl(propylsulfanyl)phosphoryl]oxybenzene, 1-nitro-4-(phenyl-propylsulfanyl-phosphoryl)oxy-benzene
| Molecular Formula | C15H16NO4PS |
|---|---|
| Molecular Weight | 337.05 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 97.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 337.05377 |
| Heavy Atoms | 22 |
| Complexity | 401.0 |
Chemical Identifiers
| CAS Number | 122631-72-5 |
|---|---|
| SMILES | CCCSP(=O)(C1=CC=CC=C1)OC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | KQABHBIHZNDMCL-UHFFFAOYSA-N |
Product Overview
Phosphonothioic acid, phenyl-, O-(4-nitrophenyl) S-propyl ester (CAS 122631-72-5), with molecular formula C15H16NO4PS and molecular weight 337.05 g/mol. IUPAC: 1-nitro-4-[phenyl(propylsulfanyl)phosphoryl]oxybenzene.
Chemical Property Profile of Phosphonothioic acid, phenyl-, O-(4-nitrophenyl) S-propyl ester
Property Insights of Phosphonothioic acid, phenyl-, O-(4-nitrophenyl) S-propyl ester
The XLogP value of 4.0 indicates that Phosphonothioic acid, phenyl-, O-(4-nitrophenyl) S-propyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphonothioic acid, phenyl-, O-(4-nitrophenyl) S-propyl ester. Following Lipinski's Rule of Five, Phosphonothioic acid, phenyl-, O-(4-nitrophenyl) S-propyl 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-(4-nitrophenyl) S-propyl ester?
The CAS number of Phosphonothioic acid, phenyl-, O-(4-nitrophenyl) S-propyl ester is 122631-72-5.
What is the molecular formula of Phosphonothioic acid, phenyl-, O-(4-nitrophenyl) S-propyl ester?
The molecular formula of Phosphonothioic acid, phenyl-, O-(4-nitrophenyl) S-propyl ester is C15H16NO4PS.
What is the molecular weight of Phosphonothioic acid, phenyl-, O-(4-nitrophenyl) S-propyl ester?
The molecular weight of Phosphonothioic acid, phenyl-, O-(4-nitrophenyl) S-propyl ester is 337.05 g/mol.
Where can I buy Phosphonothioic acid, phenyl-, O-(4-nitrophenyl) S-propyl ester?
You can request a quote for Phosphonothioic acid, phenyl-, O-(4-nitrophenyl) S-propyl 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-(4-nitrophenyl) S-propyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphonothioic acid, phenyl-, O-(4-nitrophenyl) S-propyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.