![3-[(diethoxyphosphorothioyl)oxy]-5-(4-isopropylanilino)isothiazole-4-carbonitrile structure](/static/products/287/287196-76-3.png)
3-[(diethoxyphosphorothioyl)oxy]-5-(4-isopropylanilino)isothiazole-4-carbonitrile
TL;DR: 3-[(diethoxyphosphorothioyl)oxy]-5-(4-isopropylanilino)isothiazole-4-carbonitrile (CAS 287196-76-3) is a chemical compound with molecular formula C17H22N3O3PS2 and molecular weight 411.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-diethoxyphosphinothioyloxy-5-(4-propan-2-ylanilino)-1,2-thiazole-4-carbonitrile
Also Known As: 3-[(diethoxyphosphorothioyl)oxy]-5-(4-isopropylanilino)isothiazole-4-carbonitrile, 3-diethoxyphosphinothioyloxy-5-(4-propan-2-ylanilino)-1,2-thiazole-4-carbonitrile, 4-cyano-5-[(4-isopropylphenyl)amino]-1,2-thiazol-3-yl ethyl ethoxy(sulfanylidene)phosphonite
| Molecular Formula | C17H22N3O3PS2 |
|---|---|
| Molecular Weight | 411.08 g/mol |
| LogP | 5.55808 |
| Topological Polar Surface Area | 76.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 411.084 |
| Heavy Atoms | 26 |
| Complexity | 805.6509 |
Chemical Identifiers
| CAS Number | 287196-76-3 |
|---|---|
| SMILES | CCOP(=S)(OCC)OC1=NSC(=C1C#N)NC2=CC=C(C=C2)C(C)C |
Product Overview
3-[(diethoxyphosphorothioyl)oxy]-5-(4-isopropylanilino)isothiazole-4-carbonitrile (CAS 287196-76-3), with molecular formula C17H22N3O3PS2 and molecular weight 411.08 g/mol. IUPAC: 3-diethoxyphosphinothioyloxy-5-(4-propan-2-ylanilino)-1,2-thiazole-4-carbonitrile.
Chemical Property Profile of 3-[(diethoxyphosphorothioyl)oxy]-5-(4-isopropylanilino)isothiazole-4-carbonitrile
Property Insights of 3-[(diethoxyphosphorothioyl)oxy]-5-(4-isopropylanilino)isothiazole-4-carbonitrile
The XLogP value of 5.55808 indicates that 3-[(diethoxyphosphorothioyl)oxy]-5-(4-isopropylanilino)isothiazole-4-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(diethoxyphosphorothioyl)oxy]-5-(4-isopropylanilino)isothiazole-4-carbonitrile. Following Lipinski's Rule of Five, 3-[(diethoxyphosphorothioyl)oxy]-5-(4-isopropylanilino)isothiazole-4-carbonitrile has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-[(diethoxyphosphorothioyl)oxy]-5-(4-isopropylanilino)isothiazole-4-carbonitrile?
The CAS number of 3-[(diethoxyphosphorothioyl)oxy]-5-(4-isopropylanilino)isothiazole-4-carbonitrile is 287196-76-3.
What is the molecular formula of 3-[(diethoxyphosphorothioyl)oxy]-5-(4-isopropylanilino)isothiazole-4-carbonitrile?
The molecular formula of 3-[(diethoxyphosphorothioyl)oxy]-5-(4-isopropylanilino)isothiazole-4-carbonitrile is C17H22N3O3PS2.
What is the molecular weight of 3-[(diethoxyphosphorothioyl)oxy]-5-(4-isopropylanilino)isothiazole-4-carbonitrile?
The molecular weight of 3-[(diethoxyphosphorothioyl)oxy]-5-(4-isopropylanilino)isothiazole-4-carbonitrile is 411.08 g/mol.
Where can I buy 3-[(diethoxyphosphorothioyl)oxy]-5-(4-isopropylanilino)isothiazole-4-carbonitrile?
You can request a quote for 3-[(diethoxyphosphorothioyl)oxy]-5-(4-isopropylanilino)isothiazole-4-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(diethoxyphosphorothioyl)oxy]-5-(4-isopropylanilino)isothiazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[(diethoxyphosphorothioyl)oxy]-5-(4-isopropylanilino)isothiazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.