Phosphorothioic acid, O-ethyl O-(4-((methylsulfonyl)oxy)phenyl) S-propyl ester
TL;DR: Phosphorothioic acid, O-ethyl O-(4-((methylsulfonyl)oxy)phenyl) S-propyl ester (CAS 6631-86-3) is a chemical compound with molecular formula C12H19O6PS2 and molecular weight 354.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[ethoxy(propylsulfanyl)phosphoryl]oxyphenyl] methanesulfonate
Also Known As: RH 0308, RH 40308, AI3-29408, 4-{[ethoxy(propylsulfanyl)phosphoryl]oxy}phenyl methanesulfonate, O-Ethyl O-(4-((methylsulfonyl)oxy)phenyl) S-propyl phosphorothioate
| Molecular Formula | C12H19O6PS2 |
|---|---|
| Molecular Weight | 354.04 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 354.03607 |
| Heavy Atoms | 21 |
| Complexity | 439.0 |
Chemical Identifiers
| CAS Number | 6631-86-3 |
|---|---|
| SMILES | CCCSP(=O)(OCC)OC1=CC=C(C=C1)OS(=O)(=O)C |
| InChIKey | KFSVQVVBZSKCOO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phosphorothioic acid, O-ethyl O-(4-((methylsulfonyl)oxy)phenyl) S-propyl ester (CAS 6631-86-3), with molecular formula C12H19O6PS2 and molecular weight 354.04 g/mol. IUPAC: [4-[ethoxy(propylsulfanyl)phosphoryl]oxyphenyl] methanesulfonate.
Chemical Property Profile of Phosphorothioic acid, O-ethyl O-(4-((methylsulfonyl)oxy)phenyl) S-propyl ester
Property Insights of Phosphorothioic acid, O-ethyl O-(4-((methylsulfonyl)oxy)phenyl) S-propyl ester
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphorothioic acid, O-ethyl O-(4-((methylsulfonyl)oxy)phenyl) S-propyl ester. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorothioic acid, O-ethyl O-(4-((methylsulfonyl)oxy)phenyl) S-propyl ester. Following Lipinski's Rule of Five, Phosphorothioic acid, O-ethyl O-(4-((methylsulfonyl)oxy)phenyl) S-propyl ester has 0 hydrogen bond donor(s) and 7 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-ethyl O-(4-((methylsulfonyl)oxy)phenyl) S-propyl ester?
The CAS number of Phosphorothioic acid, O-ethyl O-(4-((methylsulfonyl)oxy)phenyl) S-propyl ester is 6631-86-3.
What is the molecular formula of Phosphorothioic acid, O-ethyl O-(4-((methylsulfonyl)oxy)phenyl) S-propyl ester?
The molecular formula of Phosphorothioic acid, O-ethyl O-(4-((methylsulfonyl)oxy)phenyl) S-propyl ester is C12H19O6PS2.
What is the molecular weight of Phosphorothioic acid, O-ethyl O-(4-((methylsulfonyl)oxy)phenyl) S-propyl ester?
The molecular weight of Phosphorothioic acid, O-ethyl O-(4-((methylsulfonyl)oxy)phenyl) S-propyl ester is 354.04 g/mol.
Where can I buy Phosphorothioic acid, O-ethyl O-(4-((methylsulfonyl)oxy)phenyl) S-propyl ester?
You can request a quote for Phosphorothioic acid, O-ethyl O-(4-((methylsulfonyl)oxy)phenyl) 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 Phosphorothioic acid, O-ethyl O-(4-((methylsulfonyl)oxy)phenyl) S-propyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorothioic acid, O-ethyl O-(4-((methylsulfonyl)oxy)phenyl) S-propyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.