Phosphorothioic acid, O-(p-(methylsulfinyl)phenyl) O,O-dipropyl ester
TL;DR: Phosphorothioic acid, O-(p-(methylsulfinyl)phenyl) O,O-dipropyl ester (CAS 3254-62-4) is a chemical compound with molecular formula C13H21O4PS2 and molecular weight 336.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methylsulfinylphenoxy)-dipropoxy-sulfanylidene-λ5-phosphane
Also Known As: Bayer 29709, ENT 25,508, S-1809, O-[4- phenyl]O,O-dipropyl=phosphorothioate, O-(p-Methylsulfinylphenyl)O,O-dipropyl phosphorothiate
| Molecular Formula | C13H21O4PS2 |
|---|---|
| Molecular Weight | 336.06 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 96.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 336.0619 |
| Heavy Atoms | 20 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 3254-62-4 |
|---|---|
| SMILES | CCCOP(=S)(OCCC)OC1=CC=C(C=C1)S(=O)C |
| InChIKey | LMXCIGBULAWAIL-UHFFFAOYSA-N |
Product Overview
Phosphorothioic acid, O-(p-(methylsulfinyl)phenyl) O,O-dipropyl ester (CAS 3254-62-4), with molecular formula C13H21O4PS2 and molecular weight 336.06 g/mol. IUPAC: (4-methylsulfinylphenoxy)-dipropoxy-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Phosphorothioic acid, O-(p-(methylsulfinyl)phenyl) O,O-dipropyl ester
Property Insights of Phosphorothioic acid, O-(p-(methylsulfinyl)phenyl) O,O-dipropyl ester
The XLogP value of 3.3 indicates that Phosphorothioic acid, O-(p-(methylsulfinyl)phenyl) O,O-dipropyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorothioic acid, O-(p-(methylsulfinyl)phenyl) O,O-dipropyl ester. Following Lipinski's Rule of Five, Phosphorothioic acid, O-(p-(methylsulfinyl)phenyl) O,O-dipropyl 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-(p-(methylsulfinyl)phenyl) O,O-dipropyl ester?
The CAS number of Phosphorothioic acid, O-(p-(methylsulfinyl)phenyl) O,O-dipropyl ester is 3254-62-4.
What is the molecular formula of Phosphorothioic acid, O-(p-(methylsulfinyl)phenyl) O,O-dipropyl ester?
The molecular formula of Phosphorothioic acid, O-(p-(methylsulfinyl)phenyl) O,O-dipropyl ester is C13H21O4PS2.
What is the molecular weight of Phosphorothioic acid, O-(p-(methylsulfinyl)phenyl) O,O-dipropyl ester?
The molecular weight of Phosphorothioic acid, O-(p-(methylsulfinyl)phenyl) O,O-dipropyl ester is 336.06 g/mol.
Where can I buy Phosphorothioic acid, O-(p-(methylsulfinyl)phenyl) O,O-dipropyl ester?
You can request a quote for Phosphorothioic acid, O-(p-(methylsulfinyl)phenyl) O,O-dipropyl 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-(p-(methylsulfinyl)phenyl) O,O-dipropyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorothioic acid, O-(p-(methylsulfinyl)phenyl) O,O-dipropyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.