Phosphoric acid, (1-(benzylthio)vinyl) diethyl ester
TL;DR: Phosphoric acid, (1-(benzylthio)vinyl) diethyl ester (CAS 2595-51-9) is a chemical compound with molecular formula C13H19O4PS and molecular weight 302.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzylsulfanylethenyl diethyl phosphate
Also Known As: Shell SD-7565, ENT 25,815, SD 7565, 1-(benzylsulfanyl)ethenyl diethyl phosphate, AI3-25815
| Molecular Formula | C13H19O4PS |
|---|---|
| Molecular Weight | 302.07 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 70.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 302.07416 |
| Heavy Atoms | 19 |
| Complexity | 306.0 |
Chemical Identifiers
| CAS Number | 2595-51-9 |
|---|---|
| SMILES | CCOP(=O)(OCC)OC(=C)SCC1=CC=CC=C1 |
| InChIKey | APAPIGZYKSCALO-UHFFFAOYSA-N |
Product Overview
Phosphoric acid, (1-(benzylthio)vinyl) diethyl ester (CAS 2595-51-9), with molecular formula C13H19O4PS and molecular weight 302.07 g/mol. IUPAC: 1-benzylsulfanylethenyl diethyl phosphate.
Chemical Property Profile of Phosphoric acid, (1-(benzylthio)vinyl) diethyl ester
Property Insights of Phosphoric acid, (1-(benzylthio)vinyl) diethyl ester
The XLogP value of 3.2 indicates that Phosphoric acid, (1-(benzylthio)vinyl) diethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphoric acid, (1-(benzylthio)vinyl) diethyl ester. Following Lipinski's Rule of Five, Phosphoric acid, (1-(benzylthio)vinyl) diethyl ester has 0 hydrogen bond donor(s) and 5 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 Phosphoric acid, (1-(benzylthio)vinyl) diethyl ester?
The CAS number of Phosphoric acid, (1-(benzylthio)vinyl) diethyl ester is 2595-51-9.
What is the molecular formula of Phosphoric acid, (1-(benzylthio)vinyl) diethyl ester?
The molecular formula of Phosphoric acid, (1-(benzylthio)vinyl) diethyl ester is C13H19O4PS.
What is the molecular weight of Phosphoric acid, (1-(benzylthio)vinyl) diethyl ester?
The molecular weight of Phosphoric acid, (1-(benzylthio)vinyl) diethyl ester is 302.07 g/mol.
Where can I buy Phosphoric acid, (1-(benzylthio)vinyl) diethyl ester?
You can request a quote for Phosphoric acid, (1-(benzylthio)vinyl) diethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphoric acid, (1-(benzylthio)vinyl) diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphoric acid, (1-(benzylthio)vinyl) diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.