2-((2-cyclopropyl-2-oxoethyl)thio)-6-(4-fluorophenyl)-4-phenylnicotinonitrile
TL;DR: 2-((2-cyclopropyl-2-oxoethyl)thio)-6-(4-fluorophenyl)-4-phenylnicotinonitrile (CAS 330182-35-9) is a chemical compound with molecular formula C23H17FN2OS and molecular weight 388.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-cyclopropyl-2-oxoethyl)sulfanyl-6-(4-fluorophenyl)-4-phenylpyridine-3-carbonitrile
Also Known As: 2-((2-cyclopropyl-2-oxoethyl)thio)-6-(4-fluorophenyl)-4-phenylnicotinonitrile, 2-(2-cyclopropyl-2-oxoethyl)sulfanyl-6-(4-fluorophenyl)-4-phenylpyridine-3-carbonitrile, 2-[(2-cyclopropyl-2-oxoethyl)sulfanyl]-6-(4-fluorophenyl)-4-phenylnicotinonitrile, 2-[(2-cyclopropyl-2-oxoethyl)sulfanyl]-6-(4-fluorophenyl)-4-phenylpyridine-3-carbonitrile
| Molecular Formula | C23H17FN2OS |
|---|---|
| Molecular Weight | 388.10 g/mol |
| LogP | 5.49758 |
| Topological Polar Surface Area | 53.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 388.10455 |
| Heavy Atoms | 28 |
| Complexity | 1054.4556 |
Chemical Identifiers
| CAS Number | 330182-35-9 |
|---|---|
| SMILES | C1CC1C(=O)CSC2=C(C(=CC(=N2)C3=CC=C(C=C3)F)C4=CC=CC=C4)C#N |
Product Overview
2-((2-cyclopropyl-2-oxoethyl)thio)-6-(4-fluorophenyl)-4-phenylnicotinonitrile (CAS 330182-35-9), with molecular formula C23H17FN2OS and molecular weight 388.10 g/mol. IUPAC: 2-(2-cyclopropyl-2-oxoethyl)sulfanyl-6-(4-fluorophenyl)-4-phenylpyridine-3-carbonitrile.
Chemical Property Profile of 2-((2-cyclopropyl-2-oxoethyl)thio)-6-(4-fluorophenyl)-4-phenylnicotinonitrile
Property Insights of 2-((2-cyclopropyl-2-oxoethyl)thio)-6-(4-fluorophenyl)-4-phenylnicotinonitrile
The XLogP value of 5.49758 indicates that 2-((2-cyclopropyl-2-oxoethyl)thio)-6-(4-fluorophenyl)-4-phenylnicotinonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.75 Ų, 2-((2-cyclopropyl-2-oxoethyl)thio)-6-(4-fluorophenyl)-4-phenylnicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((2-cyclopropyl-2-oxoethyl)thio)-6-(4-fluorophenyl)-4-phenylnicotinonitrile has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-((2-cyclopropyl-2-oxoethyl)thio)-6-(4-fluorophenyl)-4-phenylnicotinonitrile?
The CAS number of 2-((2-cyclopropyl-2-oxoethyl)thio)-6-(4-fluorophenyl)-4-phenylnicotinonitrile is 330182-35-9.
What is the molecular formula of 2-((2-cyclopropyl-2-oxoethyl)thio)-6-(4-fluorophenyl)-4-phenylnicotinonitrile?
The molecular formula of 2-((2-cyclopropyl-2-oxoethyl)thio)-6-(4-fluorophenyl)-4-phenylnicotinonitrile is C23H17FN2OS.
What is the molecular weight of 2-((2-cyclopropyl-2-oxoethyl)thio)-6-(4-fluorophenyl)-4-phenylnicotinonitrile?
The molecular weight of 2-((2-cyclopropyl-2-oxoethyl)thio)-6-(4-fluorophenyl)-4-phenylnicotinonitrile is 388.10 g/mol.
Where can I buy 2-((2-cyclopropyl-2-oxoethyl)thio)-6-(4-fluorophenyl)-4-phenylnicotinonitrile?
You can request a quote for 2-((2-cyclopropyl-2-oxoethyl)thio)-6-(4-fluorophenyl)-4-phenylnicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((2-cyclopropyl-2-oxoethyl)thio)-6-(4-fluorophenyl)-4-phenylnicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-((2-cyclopropyl-2-oxoethyl)thio)-6-(4-fluorophenyl)-4-phenylnicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.