Phosphonothioic acid, phenyl-, O-ethyl ester, O-ester with m-hydroxybenzonitrile
TL;DR: Phosphonothioic acid, phenyl-, O-ethyl ester, O-ester with m-hydroxybenzonitrile (CAS 57856-20-9) is a chemical compound with molecular formula C15H14NO2PS and molecular weight 303.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[ethoxy(phenyl)phosphinothioyl]oxybenzonitrile
Also Known As: Phosphonothioic acid, phenyl-, O-(3-cyanophenyl) O-ethyl ester, 3-[ethoxy(phenyl)phosphinothioyl]oxybenzonitrile, O-(3-Cyanophenyl) O-ethyl phenylphosphonothioate, Phenylphosphonothioic acid O-ethyl ester O-ester with m-hydroxybenzonitrile, Phosphonothioic acid, phenyl-, O-ethyl ester, O-ester with m-hydroxybenzonitrile
| Molecular Formula | C15H14NO2PS |
|---|---|
| Molecular Weight | 303.05 g/mol |
| LogP | 3.60858 |
| Topological Polar Surface Area | 42.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 303.04828 |
| Heavy Atoms | 20 |
| Complexity | 667.0738 |
Chemical Identifiers
| CAS Number | 57856-20-9 |
|---|---|
| SMILES | CCOP(=S)(C1=CC=CC=C1)OC2=CC=CC(=C2)C#N |
Product Overview
Phosphonothioic acid, phenyl-, O-ethyl ester, O-ester with m-hydroxybenzonitrile (CAS 57856-20-9), with molecular formula C15H14NO2PS and molecular weight 303.05 g/mol. IUPAC: 3-[ethoxy(phenyl)phosphinothioyl]oxybenzonitrile.
Chemical Property Profile of Phosphonothioic acid, phenyl-, O-ethyl ester, O-ester with m-hydroxybenzonitrile
Property Insights of Phosphonothioic acid, phenyl-, O-ethyl ester, O-ester with m-hydroxybenzonitrile
The XLogP value of 3.60858 indicates that Phosphonothioic acid, phenyl-, O-ethyl ester, O-ester with m-hydroxybenzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.25 Ų, Phosphonothioic acid, phenyl-, O-ethyl ester, O-ester with m-hydroxybenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphonothioic acid, phenyl-, O-ethyl ester, O-ester with m-hydroxybenzonitrile 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, phenyl-, O-ethyl ester, O-ester with m-hydroxybenzonitrile?
The CAS number of Phosphonothioic acid, phenyl-, O-ethyl ester, O-ester with m-hydroxybenzonitrile is 57856-20-9.
What is the molecular formula of Phosphonothioic acid, phenyl-, O-ethyl ester, O-ester with m-hydroxybenzonitrile?
The molecular formula of Phosphonothioic acid, phenyl-, O-ethyl ester, O-ester with m-hydroxybenzonitrile is C15H14NO2PS.
What is the molecular weight of Phosphonothioic acid, phenyl-, O-ethyl ester, O-ester with m-hydroxybenzonitrile?
The molecular weight of Phosphonothioic acid, phenyl-, O-ethyl ester, O-ester with m-hydroxybenzonitrile is 303.05 g/mol.
Where can I buy Phosphonothioic acid, phenyl-, O-ethyl ester, O-ester with m-hydroxybenzonitrile?
You can request a quote for Phosphonothioic acid, phenyl-, O-ethyl ester, O-ester with m-hydroxybenzonitrile 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-ethyl ester, O-ester with m-hydroxybenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for Phosphonothioic acid, phenyl-, O-ethyl ester, O-ester with m-hydroxybenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.