2-Pyridinecarbonitrile, 6-(4-benzoylphenoxy)-3-(ethylthio)-
TL;DR: 2-Pyridinecarbonitrile, 6-(4-benzoylphenoxy)-3-(ethylthio)- (CAS 102645-53-4) is a chemical compound with molecular formula C21H16N2O2S and molecular weight 360.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-benzoylphenoxy)-3-ethylsulfanylpyridine-2-carbonitrile
Also Known As: 2-Pyridinecarbonitrile, 6-(4-benzoylphenoxy)-3-(ethylthio)-, 6-(4-Benzoylphenoxy)-3-(ethylthio)picolinonitrile, 6-(4-benzoylphenoxy)-3-ethylsulfanylpyridine-2-carbonitrile, 6-(4-Benzoyl-phenoxy)-3-ethylsulfanyl-pyridine-2-carbonitrile, 6-(4-benzoylphenoxy)-3-ethylthio-2-pyridinecarbonitrile
| Molecular Formula | C21H16N2O2S |
|---|---|
| Molecular Weight | 360.09 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 88.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 360.09326 |
| Heavy Atoms | 26 |
| Complexity | 503.0 |
Chemical Identifiers
| CAS Number | 102645-53-4 |
|---|---|
| SMILES | CCSC1=C(N=C(C=C1)OC2=CC=C(C=C2)C(=O)C3=CC=CC=C3)C#N |
| InChIKey | NCNHWRXBUOOOQS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Pyridinecarbonitrile, 6-(4-benzoylphenoxy)-3-(ethylthio)- (CAS 102645-53-4), with molecular formula C21H16N2O2S and molecular weight 360.09 g/mol. IUPAC: 6-(4-benzoylphenoxy)-3-ethylsulfanylpyridine-2-carbonitrile.
Chemical Property Profile of 2-Pyridinecarbonitrile, 6-(4-benzoylphenoxy)-3-(ethylthio)-
Property Insights of 2-Pyridinecarbonitrile, 6-(4-benzoylphenoxy)-3-(ethylthio)-
The XLogP value of 5.0 indicates that 2-Pyridinecarbonitrile, 6-(4-benzoylphenoxy)-3-(ethylthio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Pyridinecarbonitrile, 6-(4-benzoylphenoxy)-3-(ethylthio)-. Following Lipinski's Rule of Five, 2-Pyridinecarbonitrile, 6-(4-benzoylphenoxy)-3-(ethylthio)- 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-Pyridinecarbonitrile, 6-(4-benzoylphenoxy)-3-(ethylthio)-?
The CAS number of 2-Pyridinecarbonitrile, 6-(4-benzoylphenoxy)-3-(ethylthio)- is 102645-53-4.
What is the molecular formula of 2-Pyridinecarbonitrile, 6-(4-benzoylphenoxy)-3-(ethylthio)-?
The molecular formula of 2-Pyridinecarbonitrile, 6-(4-benzoylphenoxy)-3-(ethylthio)- is C21H16N2O2S.
What is the molecular weight of 2-Pyridinecarbonitrile, 6-(4-benzoylphenoxy)-3-(ethylthio)-?
The molecular weight of 2-Pyridinecarbonitrile, 6-(4-benzoylphenoxy)-3-(ethylthio)- is 360.09 g/mol.
Where can I buy 2-Pyridinecarbonitrile, 6-(4-benzoylphenoxy)-3-(ethylthio)-?
You can request a quote for 2-Pyridinecarbonitrile, 6-(4-benzoylphenoxy)-3-(ethylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Pyridinecarbonitrile, 6-(4-benzoylphenoxy)-3-(ethylthio)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Pyridinecarbonitrile, 6-(4-benzoylphenoxy)-3-(ethylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.