ChemDiv1_001716
TL;DR: ChemDiv1_001716 (CAS 332045-61-1) is a chemical compound with molecular formula C21H13FN4O2S and molecular weight 404.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-6-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-4-(4-hydroxyphenyl)pyridine-3,5-dicarbonitrile
Also Known As: ChemDiv1_001716, AE-848/11828179, F0192-0684, 2-amino-6-((2-(4-fluorophenyl)-2-oxoethyl)thio)-4-(4-hydroxyphenyl)pyridine-3,5-dicarbonitrile, 2-amino-6-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-4-(4-hydroxyphenyl)pyridine-3,5-dicarbonitrile
| Molecular Formula | C21H13FN4O2S |
|---|---|
| Molecular Weight | 404.07 g/mol |
| LogP | 3.89386 |
| Topological Polar Surface Area | 123.79 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 404.0743 |
| Heavy Atoms | 29 |
| Complexity | 1163.7611 |
Chemical Identifiers
| CAS Number | 332045-61-1 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=C(C(=NC(=C2C#N)SCC(=O)C3=CC=C(C=C3)F)N)C#N)O |
Product Overview
ChemDiv1_001716 (CAS 332045-61-1), with molecular formula C21H13FN4O2S and molecular weight 404.07 g/mol. IUPAC: 2-amino-6-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-4-(4-hydroxyphenyl)pyridine-3,5-dicarbonitrile.
Chemical Property Profile of ChemDiv1_001716
Property Insights of ChemDiv1_001716
The XLogP value of 3.89386 indicates that ChemDiv1_001716 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 123.79 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_001716. Following Lipinski's Rule of Five, ChemDiv1_001716 has 2 hydrogen bond donor(s) and 7 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 ChemDiv1_001716?
The CAS number of ChemDiv1_001716 is 332045-61-1.
What is the molecular formula of ChemDiv1_001716?
The molecular formula of ChemDiv1_001716 is C21H13FN4O2S.
What is the molecular weight of ChemDiv1_001716?
The molecular weight of ChemDiv1_001716 is 404.07 g/mol.
Where can I buy ChemDiv1_001716?
You can request a quote for ChemDiv1_001716 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_001716?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_001716 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.