F0653-0039
TL;DR: F0653-0039 (CAS 852142-89-3) is a chemical compound with molecular formula C19H16BrN5OS and molecular weight 441.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-bromophenyl)-2-[[5-(1H-indol-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: F0653-0039, 2-((5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-bromophenyl)acetamide, N-(4-bromophenyl)-2-{[5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(4-bromophenyl)-2-[(5-indol-3-ylidene-4-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide, N-(4-bromophenyl)-2-[[5-(1H-indol-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
| Molecular Formula | C19H16BrN5OS |
|---|---|
| Molecular Weight | 441.03 g/mol |
| LogP | 4.4567 |
| Topological Polar Surface Area | 75.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 441.02588 |
| Heavy Atoms | 27 |
| Complexity | 1102.951 |
Chemical Identifiers
| CAS Number | 852142-89-3 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)Br)C3=CNC4=CC=CC=C43 |
Product Overview
F0653-0039 (CAS 852142-89-3), with molecular formula C19H16BrN5OS and molecular weight 441.03 g/mol. IUPAC: N-(4-bromophenyl)-2-[[5-(1H-indol-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of F0653-0039
Property Insights of F0653-0039
The XLogP value of 4.4567 indicates that F0653-0039 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for F0653-0039. Following Lipinski's Rule of Five, F0653-0039 has 2 hydrogen bond donor(s) and 4 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 F0653-0039?
The CAS number of F0653-0039 is 852142-89-3.
What is the molecular formula of F0653-0039?
The molecular formula of F0653-0039 is C19H16BrN5OS.
What is the molecular weight of F0653-0039?
The molecular weight of F0653-0039 is 441.03 g/mol.
Where can I buy F0653-0039?
You can request a quote for F0653-0039 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0653-0039?
Yes, KEHONG BIO provides custom synthesis services for F0653-0039 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.