Phosphorothioic acid, O-isopropyl O-methyl O-(p-nitrophenyl) ester
TL;DR: Phosphorothioic acid, O-isopropyl O-methyl O-(p-nitrophenyl) ester (CAS 13955-12-9) is a chemical compound with molecular formula C10H14NO5PS and molecular weight 291.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methoxy-(4-nitrophenoxy)-propan-2-yloxy-sulfanylidene-λ5-phosphane
Also Known As: Bayer 52553, BAY 52553, ENT 27,248, L-9/125, O-Methyl O-(1-methylethyl) O-(4-nitrophenyl) phosphorothioate
| Molecular Formula | C10H14NO5PS |
|---|---|
| Molecular Weight | 291.03 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 291.03302 |
| Heavy Atoms | 18 |
| Complexity | 325.0 |
Chemical Identifiers
| CAS Number | 13955-12-9 |
|---|---|
| SMILES | CC(C)OP(=S)(OC)OC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | IDTURXUOVKNCOM-UHFFFAOYSA-N |
Product Overview
Phosphorothioic acid, O-isopropyl O-methyl O-(p-nitrophenyl) ester (CAS 13955-12-9), with molecular formula C10H14NO5PS and molecular weight 291.03 g/mol. IUPAC: methoxy-(4-nitrophenoxy)-propan-2-yloxy-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Phosphorothioic acid, O-isopropyl O-methyl O-(p-nitrophenyl) ester
Property Insights of Phosphorothioic acid, O-isopropyl O-methyl O-(p-nitrophenyl) ester
The XLogP value of 3.7 indicates that Phosphorothioic acid, O-isopropyl O-methyl O-(p-nitrophenyl) 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-isopropyl O-methyl O-(p-nitrophenyl) ester. Following Lipinski's Rule of Five, Phosphorothioic acid, O-isopropyl O-methyl O-(p-nitrophenyl) 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-isopropyl O-methyl O-(p-nitrophenyl) ester?
The CAS number of Phosphorothioic acid, O-isopropyl O-methyl O-(p-nitrophenyl) ester is 13955-12-9.
What is the molecular formula of Phosphorothioic acid, O-isopropyl O-methyl O-(p-nitrophenyl) ester?
The molecular formula of Phosphorothioic acid, O-isopropyl O-methyl O-(p-nitrophenyl) ester is C10H14NO5PS.
What is the molecular weight of Phosphorothioic acid, O-isopropyl O-methyl O-(p-nitrophenyl) ester?
The molecular weight of Phosphorothioic acid, O-isopropyl O-methyl O-(p-nitrophenyl) ester is 291.03 g/mol.
Where can I buy Phosphorothioic acid, O-isopropyl O-methyl O-(p-nitrophenyl) ester?
You can request a quote for Phosphorothioic acid, O-isopropyl 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 Phosphorothioic acid, O-isopropyl O-methyl O-(p-nitrophenyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorothioic acid, O-isopropyl O-methyl O-(p-nitrophenyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.