Phosphorothioic acid, S-(3-(acetyloxy)-1-propynyl) O,O-diethyl ester
TL;DR: Phosphorothioic acid, S-(3-(acetyloxy)-1-propynyl) O,O-diethyl ester (CAS 87709-16-8) is a chemical compound with molecular formula C9H15O5PS and molecular weight 266.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-diethoxyphosphorylsulfanylprop-2-ynyl acetate
Also Known As: 3-diethoxyphosphorylsulfanylprop-2-ynyl acetate, Phosphorothioic acid, S-(3-(acetyloxy)-1-propynyl) O,O-diethyl ester, 3-[(Diethoxyphosphoryl)sulfanyl]prop-2-yn-1-yl acetate
| Molecular Formula | C9H15O5PS |
|---|---|
| Molecular Weight | 266.04 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 87.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 266.03778 |
| Heavy Atoms | 16 |
| Complexity | 319.0 |
Chemical Identifiers
| CAS Number | 87709-16-8 |
|---|---|
| SMILES | CCOP(=O)(OCC)SC#CCOC(=O)C |
| InChIKey | BDQXHOKGNCXDMT-UHFFFAOYSA-N |
Product Overview
Phosphorothioic acid, S-(3-(acetyloxy)-1-propynyl) O,O-diethyl ester (CAS 87709-16-8), with molecular formula C9H15O5PS and molecular weight 266.04 g/mol. IUPAC: 3-diethoxyphosphorylsulfanylprop-2-ynyl acetate.
Chemical Property Profile of Phosphorothioic acid, S-(3-(acetyloxy)-1-propynyl) O,O-diethyl ester
Property Insights of Phosphorothioic acid, S-(3-(acetyloxy)-1-propynyl) O,O-diethyl ester
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphorothioic acid, S-(3-(acetyloxy)-1-propynyl) O,O-diethyl ester. The TPSA of 87.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorothioic acid, S-(3-(acetyloxy)-1-propynyl) O,O-diethyl ester. Following Lipinski's Rule of Five, Phosphorothioic acid, S-(3-(acetyloxy)-1-propynyl) O,O-diethyl 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, S-(3-(acetyloxy)-1-propynyl) O,O-diethyl ester?
The CAS number of Phosphorothioic acid, S-(3-(acetyloxy)-1-propynyl) O,O-diethyl ester is 87709-16-8.
What is the molecular formula of Phosphorothioic acid, S-(3-(acetyloxy)-1-propynyl) O,O-diethyl ester?
The molecular formula of Phosphorothioic acid, S-(3-(acetyloxy)-1-propynyl) O,O-diethyl ester is C9H15O5PS.
What is the molecular weight of Phosphorothioic acid, S-(3-(acetyloxy)-1-propynyl) O,O-diethyl ester?
The molecular weight of Phosphorothioic acid, S-(3-(acetyloxy)-1-propynyl) O,O-diethyl ester is 266.04 g/mol.
Where can I buy Phosphorothioic acid, S-(3-(acetyloxy)-1-propynyl) O,O-diethyl ester?
You can request a quote for Phosphorothioic acid, S-(3-(acetyloxy)-1-propynyl) O,O-diethyl 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, S-(3-(acetyloxy)-1-propynyl) O,O-diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorothioic acid, S-(3-(acetyloxy)-1-propynyl) O,O-diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.