Phosphonothioic acid, phenyl-, O-(4-cyanophenyl)
TL;DR: Phosphonothioic acid, phenyl-, O-(4-cyanophenyl) (CAS 61073-10-7) is a chemical compound with molecular formula C13H10NO2PS and molecular weight 275.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[hydroxy(phenyl)phosphinothioyl]oxybenzonitrile
Also Known As: 4-cyanophenyl phenyl(sulfanyl)phosphinate, PHOSPHONOTHIOIC ACID, PHENYL-, O-(4-CYANOPHENYL), J1.621.165F, 4-[hydroxy(phenyl)phosphinothioyl]oxybenzonitrile, O-(4-Cyanophenyl) hydrogen phenylphosphonothioate
| Molecular Formula | C13H10NO2PS |
|---|---|
| Molecular Weight | 275.02 g/mol |
| LogP | 2.56438 |
| Topological Polar Surface Area | 53.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 275.017 |
| Heavy Atoms | 18 |
| Complexity | 619.6896 |
Chemical Identifiers
| CAS Number | 61073-10-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)P(=S)(O)OC2=CC=C(C=C2)C#N |
Product Overview
Phosphonothioic acid, phenyl-, O-(4-cyanophenyl) (CAS 61073-10-7), with molecular formula C13H10NO2PS and molecular weight 275.02 g/mol. IUPAC: 4-[hydroxy(phenyl)phosphinothioyl]oxybenzonitrile.
Chemical Property Profile of Phosphonothioic acid, phenyl-, O-(4-cyanophenyl)
Property Insights of Phosphonothioic acid, phenyl-, O-(4-cyanophenyl)
The XLogP value of 2.56438 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphonothioic acid, phenyl-, O-(4-cyanophenyl). With a topological polar surface area (TPSA) of 53.25 Ų, Phosphonothioic acid, phenyl-, O-(4-cyanophenyl) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphonothioic acid, phenyl-, O-(4-cyanophenyl) has 1 hydrogen bond donor(s) and 3 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, phenyl-, O-(4-cyanophenyl)?
The CAS number of Phosphonothioic acid, phenyl-, O-(4-cyanophenyl) is 61073-10-7.
What is the molecular formula of Phosphonothioic acid, phenyl-, O-(4-cyanophenyl)?
The molecular formula of Phosphonothioic acid, phenyl-, O-(4-cyanophenyl) is C13H10NO2PS.
What is the molecular weight of Phosphonothioic acid, phenyl-, O-(4-cyanophenyl)?
The molecular weight of Phosphonothioic acid, phenyl-, O-(4-cyanophenyl) is 275.02 g/mol.
Where can I buy Phosphonothioic acid, phenyl-, O-(4-cyanophenyl)?
You can request a quote for Phosphonothioic acid, phenyl-, O-(4-cyanophenyl) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphonothioic acid, phenyl-, O-(4-cyanophenyl)?
Yes, KEHONG BIO provides custom synthesis services for Phosphonothioic acid, phenyl-, O-(4-cyanophenyl) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.