F0507-0786
TL;DR: F0507-0786 (CAS 391899-00-6) is a chemical compound with molecular formula C21H16BrFN6O2S2 and molecular weight 545.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-(4-bromophenyl)-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-2-fluorobenzamide
Also Known As: F0507-0786, N-((4-(4-bromophenyl)-5-((2-oxo-2-(thiazol-2-ylamino)ethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)-2-fluorobenzamide, N-{[4-(4-bromophenyl)-5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-2-fluorobenzamide, N-[[4-(4-bromophenyl)-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-2-fluorobenzamide
| Molecular Formula | C21H16BrFN6O2S2 |
|---|---|
| Molecular Weight | 545.99 g/mol |
| LogP | 4.2862 |
| Topological Polar Surface Area | 101.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 545.9944 |
| Heavy Atoms | 33 |
| Complexity | 1264.2677 |
Chemical Identifiers
| CAS Number | 391899-00-6 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)NCC2=NN=C(N2C3=CC=C(C=C3)Br)SCC(=O)NC4=NC=CS4)F |
Product Overview
F0507-0786 (CAS 391899-00-6), with molecular formula C21H16BrFN6O2S2 and molecular weight 545.99 g/mol. IUPAC: N-[[4-(4-bromophenyl)-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-2-fluorobenzamide.
Chemical Property Profile of F0507-0786
Property Insights of F0507-0786
The XLogP value of 4.2862 indicates that F0507-0786 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.8 Ų falls within the moderate polarity range, balancing permeability and solubility for F0507-0786. Following Lipinski's Rule of Five, F0507-0786 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0507-0786?
The CAS number of F0507-0786 is 391899-00-6.
What is the molecular formula of F0507-0786?
The molecular formula of F0507-0786 is C21H16BrFN6O2S2.
What is the molecular weight of F0507-0786?
The molecular weight of F0507-0786 is 545.99 g/mol.
Where can I buy F0507-0786?
You can request a quote for F0507-0786 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0507-0786?
Yes, KEHONG BIO provides custom synthesis services for F0507-0786 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.