F0507-0686
TL;DR: F0507-0686 (CAS 391898-28-5) is a chemical compound with molecular formula C20H20ClFN4OS and molecular weight 418.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[5-butylsulfanyl-4-(3-chlorophenyl)-1,2,4-triazol-3-yl]methyl]-2-fluorobenzamide
Also Known As: F0507-0686, N-{[5-(butylsulfanyl)-4-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]methyl}-2-fluorobenzamide, N-((5-(butylthio)-4-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl)methyl)-2-fluorobenzamide, N-[[5-butylsulfanyl-4-(3-chlorophenyl)-1,2,4-triazol-3-yl]methyl]-2-fluorobenzamide
| Molecular Formula | C20H20ClFN4OS |
|---|---|
| Molecular Weight | 418.10 g/mol |
| LogP | 4.882 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 418.10303 |
| Heavy Atoms | 28 |
| Complexity | 962.88367 |
Chemical Identifiers
| CAS Number | 391898-28-5 |
|---|---|
| SMILES | CCCCSC1=NN=C(N1C2=CC(=CC=C2)Cl)CNC(=O)C3=CC=CC=C3F |
Product Overview
F0507-0686 (CAS 391898-28-5), with molecular formula C20H20ClFN4OS and molecular weight 418.10 g/mol. IUPAC: N-[[5-butylsulfanyl-4-(3-chlorophenyl)-1,2,4-triazol-3-yl]methyl]-2-fluorobenzamide.
Chemical Property Profile of F0507-0686
Property Insights of F0507-0686
The XLogP value of 4.882 indicates that F0507-0686 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, F0507-0686 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F0507-0686 has 1 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 F0507-0686?
The CAS number of F0507-0686 is 391898-28-5.
What is the molecular formula of F0507-0686?
The molecular formula of F0507-0686 is C20H20ClFN4OS.
What is the molecular weight of F0507-0686?
The molecular weight of F0507-0686 is 418.10 g/mol.
Where can I buy F0507-0686?
You can request a quote for F0507-0686 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0507-0686?
Yes, KEHONG BIO provides custom synthesis services for F0507-0686 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.