F1016-0519
TL;DR: F1016-0519 (CAS 403836-66-8) is a chemical compound with molecular formula C21H20BrN5OS and molecular weight 469.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-(4-bromophenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
Also Known As: F1016-0519, 1-(3-(4-bromophenyl)-5-(p-tolyl)-4,5-dihydro-1H-pyrazol-1-yl)-2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)ethanone, 1-[3-(4-bromophenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one, 1-[5-(4-bromophenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
| Molecular Formula | C21H20BrN5OS |
|---|---|
| Molecular Weight | 469.06 g/mol |
| LogP | 4.35602 |
| Topological Polar Surface Area | 63.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 469.0572 |
| Heavy Atoms | 29 |
| Complexity | 1045.6932 |
Chemical Identifiers
| CAS Number | 403836-66-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2CC(=NN2C(=O)CSC3=NN=CN3C)C4=CC=C(C=C4)Br |
Product Overview
F1016-0519 (CAS 403836-66-8), with molecular formula C21H20BrN5OS and molecular weight 469.06 g/mol. IUPAC: 1-[5-(4-bromophenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone.
Chemical Property Profile of F1016-0519
Property Insights of F1016-0519
The XLogP value of 4.35602 indicates that F1016-0519 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.38 Ų falls within the moderate polarity range, balancing permeability and solubility for F1016-0519. Following Lipinski's Rule of Five, F1016-0519 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 F1016-0519?
The CAS number of F1016-0519 is 403836-66-8.
What is the molecular formula of F1016-0519?
The molecular formula of F1016-0519 is C21H20BrN5OS.
What is the molecular weight of F1016-0519?
The molecular weight of F1016-0519 is 469.06 g/mol.
Where can I buy F1016-0519?
You can request a quote for F1016-0519 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1016-0519?
Yes, KEHONG BIO provides custom synthesis services for F1016-0519 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.