2-diethoxyphosphinothioyl-1H-isoquinoline-1-carbonitrile
TL;DR: 2-diethoxyphosphinothioyl-1H-isoquinoline-1-carbonitrile (CAS 6587-73-1) is a chemical compound with molecular formula C14H17N2O2PS and molecular weight 308.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-diethoxyphosphinothioyl-1H-isoquinoline-1-carbonitrile
Also Known As: sodium,5,5-dibutyl-4-oxo-1,3-oxazol-2-olate, 2-diethoxyphosphinothioyl-1H-isoquinoline-1-carbonitrile, o,o-diethyl(1-cyanoisoquinolin-2(1h)-yl)phosphonothioate
| Molecular Formula | C14H17N2O2PS |
|---|---|
| Molecular Weight | 308.07 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 77.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 308.07483 |
| Heavy Atoms | 20 |
| Complexity | 449.0 |
Chemical Identifiers
| CAS Number | 6587-73-1 |
|---|---|
| SMILES | CCOP(=S)(N1C=CC2=CC=CC=C2C1C#N)OCC |
| InChIKey | IJFWTBSTQJFXBG-UHFFFAOYSA-N |
Product Overview
2-diethoxyphosphinothioyl-1H-isoquinoline-1-carbonitrile (CAS 6587-73-1), with molecular formula C14H17N2O2PS and molecular weight 308.07 g/mol. IUPAC: 2-diethoxyphosphinothioyl-1H-isoquinoline-1-carbonitrile.
Chemical Property Profile of 2-diethoxyphosphinothioyl-1H-isoquinoline-1-carbonitrile
Property Insights of 2-diethoxyphosphinothioyl-1H-isoquinoline-1-carbonitrile
The XLogP value of 4.0 indicates that 2-diethoxyphosphinothioyl-1H-isoquinoline-1-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-diethoxyphosphinothioyl-1H-isoquinoline-1-carbonitrile. Following Lipinski's Rule of Five, 2-diethoxyphosphinothioyl-1H-isoquinoline-1-carbonitrile has 0 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 2-diethoxyphosphinothioyl-1H-isoquinoline-1-carbonitrile?
The CAS number of 2-diethoxyphosphinothioyl-1H-isoquinoline-1-carbonitrile is 6587-73-1.
What is the molecular formula of 2-diethoxyphosphinothioyl-1H-isoquinoline-1-carbonitrile?
The molecular formula of 2-diethoxyphosphinothioyl-1H-isoquinoline-1-carbonitrile is C14H17N2O2PS.
What is the molecular weight of 2-diethoxyphosphinothioyl-1H-isoquinoline-1-carbonitrile?
The molecular weight of 2-diethoxyphosphinothioyl-1H-isoquinoline-1-carbonitrile is 308.07 g/mol.
Where can I buy 2-diethoxyphosphinothioyl-1H-isoquinoline-1-carbonitrile?
You can request a quote for 2-diethoxyphosphinothioyl-1H-isoquinoline-1-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-diethoxyphosphinothioyl-1H-isoquinoline-1-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-diethoxyphosphinothioyl-1H-isoquinoline-1-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.