Phosphonothioic acid, phenyl-, S-butyl O-(4-nitrophenyl) ester
TL;DR: Phosphonothioic acid, phenyl-, S-butyl O-(4-nitrophenyl) ester (CAS 122608-35-9) is a chemical compound with molecular formula C16H18NO4PS and molecular weight 351.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butan-2-yloxy-(4-nitrophenoxy)-phenyl-sulfanylidene-λ5-phosphane
Also Known As: Phosphonothioic acid, phenyl-, S-butyl O-(4-nitrophenyl) ester, butan-2-yloxy-(4-nitrophenoxy)-phenyl-sulfanylidene-, O-Butan-2-yl O-(4-nitrophenyl) phenylphosphonothioate, O-(Butan-2-yl) O-(4-nitrophenyl) phenylphosphonothioate, Phosphonothioic acid,phenyl-, S-butyl O-(4-nitrophenyl) ester (9CI)
| Molecular Formula | C16H18NO4PS |
|---|---|
| Molecular Weight | 351.07 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 96.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 351.06943 |
| Heavy Atoms | 23 |
| Complexity | 428.0 |
Chemical Identifiers
| CAS Number | 122608-35-9 |
|---|---|
| SMILES | CCC(C)OP(=S)(C1=CC=CC=C1)OC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | AKUOMIUAXZCKHS-UHFFFAOYSA-N |
Product Overview
Phosphonothioic acid, phenyl-, S-butyl O-(4-nitrophenyl) ester (CAS 122608-35-9), with molecular formula C16H18NO4PS and molecular weight 351.07 g/mol. IUPAC: butan-2-yloxy-(4-nitrophenoxy)-phenyl-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Phosphonothioic acid, phenyl-, S-butyl O-(4-nitrophenyl) ester
Property Insights of Phosphonothioic acid, phenyl-, S-butyl O-(4-nitrophenyl) ester
The XLogP value of 5.7 indicates that Phosphonothioic acid, phenyl-, S-butyl O-(4-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-, S-butyl O-(4-nitrophenyl) ester. Following Lipinski's Rule of Five, Phosphonothioic acid, phenyl-, S-butyl O-(4-nitrophenyl) ester has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phosphonothioic acid, phenyl-, S-butyl O-(4-nitrophenyl) ester?
The CAS number of Phosphonothioic acid, phenyl-, S-butyl O-(4-nitrophenyl) ester is 122608-35-9.
What is the molecular formula of Phosphonothioic acid, phenyl-, S-butyl O-(4-nitrophenyl) ester?
The molecular formula of Phosphonothioic acid, phenyl-, S-butyl O-(4-nitrophenyl) ester is C16H18NO4PS.
What is the molecular weight of Phosphonothioic acid, phenyl-, S-butyl O-(4-nitrophenyl) ester?
The molecular weight of Phosphonothioic acid, phenyl-, S-butyl O-(4-nitrophenyl) ester is 351.07 g/mol.
Where can I buy Phosphonothioic acid, phenyl-, S-butyl O-(4-nitrophenyl) ester?
You can request a quote for Phosphonothioic acid, phenyl-, S-butyl O-(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 Phosphonothioic acid, phenyl-, S-butyl O-(4-nitrophenyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphonothioic acid, phenyl-, S-butyl O-(4-nitrophenyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.