Phosphonothioic acid, (4-cyanophenyl)-, O,O-diethyl ester
TL;DR: Phosphonothioic acid, (4-cyanophenyl)-, O,O-diethyl ester (CAS 56167-60-3) is a chemical compound with molecular formula C11H14NO2PS and molecular weight 255.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-diethoxyphosphinothioylbenzonitrile
Also Known As: 4-diethoxyphosphinothioylbenzonitrile, O,O-Diethyl (4-cyanophenyl)phosphonothioate, Phosphonothioic acid, (4-cyanophenyl)-, O,O-diethyl ester
| Molecular Formula | C11H14NO2PS |
|---|---|
| Molecular Weight | 255.05 g/mol |
| LogP | 2.56608 |
| Topological Polar Surface Area | 42.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 255.0483 |
| Heavy Atoms | 16 |
| Complexity | 414.60587 |
Chemical Identifiers
| CAS Number | 56167-60-3 |
|---|---|
| SMILES | CCOP(=S)(C1=CC=C(C=C1)C#N)OCC |
Product Overview
Phosphonothioic acid, (4-cyanophenyl)-, O,O-diethyl ester (CAS 56167-60-3), with molecular formula C11H14NO2PS and molecular weight 255.05 g/mol. IUPAC: 4-diethoxyphosphinothioylbenzonitrile.
Chemical Property Profile of Phosphonothioic acid, (4-cyanophenyl)-, O,O-diethyl ester
Property Insights of Phosphonothioic acid, (4-cyanophenyl)-, O,O-diethyl ester
The XLogP value of 2.56608 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphonothioic acid, (4-cyanophenyl)-, O,O-diethyl ester. With a topological polar surface area (TPSA) of 42.25 Ų, Phosphonothioic acid, (4-cyanophenyl)-, O,O-diethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphonothioic acid, (4-cyanophenyl)-, O,O-diethyl ester has 0 hydrogen bond donor(s) and 4 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 Phosphonothioic acid, (4-cyanophenyl)-, O,O-diethyl ester?
The CAS number of Phosphonothioic acid, (4-cyanophenyl)-, O,O-diethyl ester is 56167-60-3.
What is the molecular formula of Phosphonothioic acid, (4-cyanophenyl)-, O,O-diethyl ester?
The molecular formula of Phosphonothioic acid, (4-cyanophenyl)-, O,O-diethyl ester is C11H14NO2PS.
What is the molecular weight of Phosphonothioic acid, (4-cyanophenyl)-, O,O-diethyl ester?
The molecular weight of Phosphonothioic acid, (4-cyanophenyl)-, O,O-diethyl ester is 255.05 g/mol.
Where can I buy Phosphonothioic acid, (4-cyanophenyl)-, O,O-diethyl ester?
You can request a quote for Phosphonothioic acid, (4-cyanophenyl)-, 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 Phosphonothioic acid, (4-cyanophenyl)-, O,O-diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphonothioic acid, (4-cyanophenyl)-, O,O-diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.