A0439/0020329
TL;DR: A0439/0020329 (CAS 328068-79-7) is a chemical compound with molecular formula C18H11FN2OS2 and molecular weight 354.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-6-thiophen-2-ylpyridine-3-carbonitrile
Also Known As: A0439/0020329, 2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-6-(thiophen-2-yl)pyridine-3-carbonitrile, 2-((2-(4-fluorophenyl)-2-oxoethyl)thio)-6-(thiophen-2-yl)nicotinonitrile, 2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-6-thiophen-2-ylpyridine-3-carbonitrile, 2-[2-(4-fluorophenyl)-2-oxoethylthio]-6-(2-thienyl)pyridine-3-carbonitrile
| Molecular Formula | C18H11FN2OS2 |
|---|---|
| Molecular Weight | 354.03 g/mol |
| LogP | 4.79588 |
| Topological Polar Surface Area | 53.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 354.0297 |
| Heavy Atoms | 24 |
| Complexity | 899.76825 |
Chemical Identifiers
| CAS Number | 328068-79-7 |
|---|---|
| SMILES | C1=CSC(=C1)C2=NC(=C(C=C2)C#N)SCC(=O)C3=CC=C(C=C3)F |
Product Overview
A0439/0020329 (CAS 328068-79-7), with molecular formula C18H11FN2OS2 and molecular weight 354.03 g/mol. IUPAC: 2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-6-thiophen-2-ylpyridine-3-carbonitrile.
Chemical Property Profile of A0439/0020329
Property Insights of A0439/0020329
The XLogP value of 4.79588 indicates that A0439/0020329 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.75 Ų, A0439/0020329 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A0439/0020329 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 A0439/0020329?
The CAS number of A0439/0020329 is 328068-79-7.
What is the molecular formula of A0439/0020329?
The molecular formula of A0439/0020329 is C18H11FN2OS2.
What is the molecular weight of A0439/0020329?
The molecular weight of A0439/0020329 is 354.03 g/mol.
Where can I buy A0439/0020329?
You can request a quote for A0439/0020329 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A0439/0020329?
Yes, KEHONG BIO provides custom synthesis services for A0439/0020329 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.