![Phosphonic acid, [1-cyano-2-(phenylamino)-2-thioxoethyl]-, diethyl ester structure](/static/products/5408/54086-51-0.webp)
Phosphonic acid, [1-cyano-2-(phenylamino)-2-thioxoethyl]-, diethyl ester
TL;DR: Phosphonic acid, [1-cyano-2-(phenylamino)-2-thioxoethyl]-, diethyl ester (CAS 54086-51-0) is a chemical compound with molecular formula C13H17N2O3PS and molecular weight 312.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyano-2-diethoxyphosphoryl-N-phenylethanethioamide
Also Known As: 2-cyano-2-diethoxyphosphoryl-N-phenylethanethioamide, Phosphonic acid, [1-cyano-2-(phenylamino)-2-thioxoethyl]-, diethyl ester, Diethyl (2-anilino-1-cyano-2-sulfanylideneethyl)phosphonate, Phosphonic acid,[1-cyano-2-(phenylamino)-2-thioxoethyl]-,diethyl ester
| Molecular Formula | C13H17N2O3PS |
|---|---|
| Molecular Weight | 312.07 g/mol |
| LogP | 3.58418 |
| Topological Polar Surface Area | 71.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 312.06976 |
| Heavy Atoms | 20 |
| Complexity | 520.16785 |
Chemical Identifiers
| CAS Number | 54086-51-0 |
|---|---|
| SMILES | CCOP(=O)(C(C#N)C(=S)NC1=CC=CC=C1)OCC |
Product Overview
Phosphonic acid, [1-cyano-2-(phenylamino)-2-thioxoethyl]-, diethyl ester (CAS 54086-51-0), with molecular formula C13H17N2O3PS and molecular weight 312.07 g/mol. IUPAC: 2-cyano-2-diethoxyphosphoryl-N-phenylethanethioamide.
Chemical Property Profile of Phosphonic acid, [1-cyano-2-(phenylamino)-2-thioxoethyl]-, diethyl ester
Property Insights of Phosphonic acid, [1-cyano-2-(phenylamino)-2-thioxoethyl]-, diethyl ester
The XLogP value of 3.58418 indicates that Phosphonic acid, [1-cyano-2-(phenylamino)-2-thioxoethyl]-, diethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.35 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphonic acid, [1-cyano-2-(phenylamino)-2-thioxoethyl]-, diethyl ester. Following Lipinski's Rule of Five, Phosphonic acid, [1-cyano-2-(phenylamino)-2-thioxoethyl]-, diethyl ester has 1 hydrogen bond donor(s) and 5 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 Phosphonic acid, [1-cyano-2-(phenylamino)-2-thioxoethyl]-, diethyl ester?
The CAS number of Phosphonic acid, [1-cyano-2-(phenylamino)-2-thioxoethyl]-, diethyl ester is 54086-51-0.
What is the molecular formula of Phosphonic acid, [1-cyano-2-(phenylamino)-2-thioxoethyl]-, diethyl ester?
The molecular formula of Phosphonic acid, [1-cyano-2-(phenylamino)-2-thioxoethyl]-, diethyl ester is C13H17N2O3PS.
What is the molecular weight of Phosphonic acid, [1-cyano-2-(phenylamino)-2-thioxoethyl]-, diethyl ester?
The molecular weight of Phosphonic acid, [1-cyano-2-(phenylamino)-2-thioxoethyl]-, diethyl ester is 312.07 g/mol.
Where can I buy Phosphonic acid, [1-cyano-2-(phenylamino)-2-thioxoethyl]-, diethyl ester?
You can request a quote for Phosphonic acid, [1-cyano-2-(phenylamino)-2-thioxoethyl]-, diethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphonic acid, [1-cyano-2-(phenylamino)-2-thioxoethyl]-, diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphonic acid, [1-cyano-2-(phenylamino)-2-thioxoethyl]-, diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.