Phosphorothioic acid, O,O-diethyl ester, O-ester with 3-hydroxycumarin
TL;DR: Phosphorothioic acid, O,O-diethyl ester, O-ester with 3-hydroxycumarin (CAS 4935-28-8) is a chemical compound with molecular formula C13H15O5PS and molecular weight 314.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-diethoxyphosphinothioyloxychromen-2-one
Also Known As: Niagara 9227, MRC 441, ENT 27,144, ThiophosphoricacidO,O-diethylO- ester, 3-diethoxyphosphinothioyloxychromen-2-one
| Molecular Formula | C13H15O5PS |
|---|---|
| Molecular Weight | 314.04 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 86.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 314.03778 |
| Heavy Atoms | 20 |
| Complexity | 426.0 |
Chemical Identifiers
| CAS Number | 4935-28-8 |
|---|---|
| SMILES | CCOP(=S)(OCC)OC1=CC2=CC=CC=C2OC1=O |
| InChIKey | LWRAXFXWIOKUAY-UHFFFAOYSA-N |
Product Overview
Phosphorothioic acid, O,O-diethyl ester, O-ester with 3-hydroxycumarin (CAS 4935-28-8), with molecular formula C13H15O5PS and molecular weight 314.04 g/mol. IUPAC: 3-diethoxyphosphinothioyloxychromen-2-one.
Chemical Property Profile of Phosphorothioic acid, O,O-diethyl ester, O-ester with 3-hydroxycumarin
Property Insights of Phosphorothioic acid, O,O-diethyl ester, O-ester with 3-hydroxycumarin
The XLogP value of 4.0 indicates that Phosphorothioic acid, O,O-diethyl ester, O-ester with 3-hydroxycumarin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorothioic acid, O,O-diethyl ester, O-ester with 3-hydroxycumarin. Following Lipinski's Rule of Five, Phosphorothioic acid, O,O-diethyl ester, O-ester with 3-hydroxycumarin 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,O-diethyl ester, O-ester with 3-hydroxycumarin?
The CAS number of Phosphorothioic acid, O,O-diethyl ester, O-ester with 3-hydroxycumarin is 4935-28-8.
What is the molecular formula of Phosphorothioic acid, O,O-diethyl ester, O-ester with 3-hydroxycumarin?
The molecular formula of Phosphorothioic acid, O,O-diethyl ester, O-ester with 3-hydroxycumarin is C13H15O5PS.
What is the molecular weight of Phosphorothioic acid, O,O-diethyl ester, O-ester with 3-hydroxycumarin?
The molecular weight of Phosphorothioic acid, O,O-diethyl ester, O-ester with 3-hydroxycumarin is 314.04 g/mol.
Where can I buy Phosphorothioic acid, O,O-diethyl ester, O-ester with 3-hydroxycumarin?
You can request a quote for Phosphorothioic acid, O,O-diethyl ester, O-ester with 3-hydroxycumarin 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-diethyl ester, O-ester with 3-hydroxycumarin?
Yes, KEHONG BIO provides custom synthesis services for Phosphorothioic acid, O,O-diethyl ester, O-ester with 3-hydroxycumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.