Phosphorothioic acid, O,O-dimethyl O-(p-(pyrrolidinylsulfonyl)phenyl) ester
TL;DR: Phosphorothioic acid, O,O-dimethyl O-(p-(pyrrolidinylsulfonyl)phenyl) ester (CAS 3078-93-1) is a chemical compound with molecular formula C12H18NO5PS2 and molecular weight 351.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethoxy-(4-pyrrolidin-1-ylsulfonylphenoxy)-sulfanylidene-λ5-phosphane
Also Known As: Phosphorothioic acid, O,O-dimethyl O-(p-(pyrrolidinylsulfonyl)phenyl) ester, Pyrrolidine, 1-(p-hydroxybenzenesulfonyl)-, ester with dimethylphosphorothioate, dimethoxy-(4-pyrrolidin-1-ylsulfonylphenoxy)-sulfanylidene-, O,O-Dimethyl O-[4-(pyrrolidine-1-sulfonyl)phenyl] phosphorothioate, O,O-DIMETHYL O-4-(PYRROLIDINE-1-SULFONYL)PHENYL PHOSPHOROTHIOATE
| Molecular Formula | C12H18NO5PS2 |
|---|---|
| Molecular Weight | 351.04 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 351.0364 |
| Heavy Atoms | 21 |
| Complexity | 470.0 |
Chemical Identifiers
| CAS Number | 3078-93-1 |
|---|---|
| SMILES | COP(=S)(OC)OC1=CC=C(C=C1)S(=O)(=O)N2CCCC2 |
| InChIKey | VXNROYLQCMFQJO-UHFFFAOYSA-N |
Product Overview
Phosphorothioic acid, O,O-dimethyl O-(p-(pyrrolidinylsulfonyl)phenyl) ester (CAS 3078-93-1), with molecular formula C12H18NO5PS2 and molecular weight 351.04 g/mol. IUPAC: dimethoxy-(4-pyrrolidin-1-ylsulfonylphenoxy)-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Phosphorothioic acid, O,O-dimethyl O-(p-(pyrrolidinylsulfonyl)phenyl) ester
Property Insights of Phosphorothioic acid, O,O-dimethyl O-(p-(pyrrolidinylsulfonyl)phenyl) ester
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphorothioic acid, O,O-dimethyl O-(p-(pyrrolidinylsulfonyl)phenyl) ester. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorothioic acid, O,O-dimethyl O-(p-(pyrrolidinylsulfonyl)phenyl) ester. Following Lipinski's Rule of Five, Phosphorothioic acid, O,O-dimethyl O-(p-(pyrrolidinylsulfonyl)phenyl) 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,O-dimethyl O-(p-(pyrrolidinylsulfonyl)phenyl) ester?
The CAS number of Phosphorothioic acid, O,O-dimethyl O-(p-(pyrrolidinylsulfonyl)phenyl) ester is 3078-93-1.
What is the molecular formula of Phosphorothioic acid, O,O-dimethyl O-(p-(pyrrolidinylsulfonyl)phenyl) ester?
The molecular formula of Phosphorothioic acid, O,O-dimethyl O-(p-(pyrrolidinylsulfonyl)phenyl) ester is C12H18NO5PS2.
What is the molecular weight of Phosphorothioic acid, O,O-dimethyl O-(p-(pyrrolidinylsulfonyl)phenyl) ester?
The molecular weight of Phosphorothioic acid, O,O-dimethyl O-(p-(pyrrolidinylsulfonyl)phenyl) ester is 351.04 g/mol.
Where can I buy Phosphorothioic acid, O,O-dimethyl O-(p-(pyrrolidinylsulfonyl)phenyl) ester?
You can request a quote for Phosphorothioic acid, O,O-dimethyl O-(p-(pyrrolidinylsulfonyl)phenyl) 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,O-dimethyl O-(p-(pyrrolidinylsulfonyl)phenyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorothioic acid, O,O-dimethyl O-(p-(pyrrolidinylsulfonyl)phenyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.