Phosphorothioic acid, O,O-diethyl S-(3,4,4-trifluoro-3-butenyl) ester
TL;DR: Phosphorothioic acid, O,O-diethyl S-(3,4,4-trifluoro-3-butenyl) ester (CAS 16499-75-5) is a chemical compound with molecular formula C8H14F3O3PS and molecular weight 278.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-diethoxyphosphorylsulfanyl-1,1,2-trifluorobut-1-ene
Also Known As: Stauffer R-11898, ENT 27,371, AI3-27371, R 11898, 4-diethoxyphosphorylsulfanyl-1,1,2-trifluorobut-1-ene
| Molecular Formula | C8H14F3O3PS |
|---|---|
| Molecular Weight | 278.04 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 60.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 278.03534 |
| Heavy Atoms | 16 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 16499-75-5 |
|---|---|
| SMILES | CCOP(=O)(OCC)SCCC(=C(F)F)F |
| InChIKey | NGRGWVSHDRFOEW-UHFFFAOYSA-N |
Product Overview
Phosphorothioic acid, O,O-diethyl S-(3,4,4-trifluoro-3-butenyl) ester (CAS 16499-75-5), with molecular formula C8H14F3O3PS and molecular weight 278.04 g/mol. IUPAC: 4-diethoxyphosphorylsulfanyl-1,1,2-trifluorobut-1-ene.
Chemical Property Profile of Phosphorothioic acid, O,O-diethyl S-(3,4,4-trifluoro-3-butenyl) ester
Property Insights of Phosphorothioic acid, O,O-diethyl S-(3,4,4-trifluoro-3-butenyl) ester
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphorothioic acid, O,O-diethyl S-(3,4,4-trifluoro-3-butenyl) ester. The TPSA of 60.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorothioic acid, O,O-diethyl S-(3,4,4-trifluoro-3-butenyl) ester. Following Lipinski's Rule of Five, Phosphorothioic acid, O,O-diethyl S-(3,4,4-trifluoro-3-butenyl) 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-diethyl S-(3,4,4-trifluoro-3-butenyl) ester?
The CAS number of Phosphorothioic acid, O,O-diethyl S-(3,4,4-trifluoro-3-butenyl) ester is 16499-75-5.
What is the molecular formula of Phosphorothioic acid, O,O-diethyl S-(3,4,4-trifluoro-3-butenyl) ester?
The molecular formula of Phosphorothioic acid, O,O-diethyl S-(3,4,4-trifluoro-3-butenyl) ester is C8H14F3O3PS.
What is the molecular weight of Phosphorothioic acid, O,O-diethyl S-(3,4,4-trifluoro-3-butenyl) ester?
The molecular weight of Phosphorothioic acid, O,O-diethyl S-(3,4,4-trifluoro-3-butenyl) ester is 278.04 g/mol.
Where can I buy Phosphorothioic acid, O,O-diethyl S-(3,4,4-trifluoro-3-butenyl) ester?
You can request a quote for Phosphorothioic acid, O,O-diethyl S-(3,4,4-trifluoro-3-butenyl) 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-diethyl S-(3,4,4-trifluoro-3-butenyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorothioic acid, O,O-diethyl S-(3,4,4-trifluoro-3-butenyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.