F0508-0020
TL;DR: F0508-0020 (CAS 389071-23-2) is a chemical compound with molecular formula C22H22F3N5O3S and molecular weight 493.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[5-butylsulfanyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]-4-methyl-3-nitrobenzamide
Also Known As: F0508-0020, N-{[5-(butylsulfanyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]methyl}-4-methyl-3-nitrobenzamide, N-((5-(butylthio)-4-(3-(trifluoromethyl)phenyl)-4H-1,2,4-triazol-3-yl)methyl)-4-methyl-3-nitrobenzamide, N-[[5-butylsulfanyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]-4-methyl-3-nitrobenzamide
| Molecular Formula | C22H22F3N5O3S |
|---|---|
| Molecular Weight | 493.14 g/mol |
| LogP | 5.32492 |
| Topological Polar Surface Area | 102.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 493.13956 |
| Heavy Atoms | 34 |
| Complexity | 1196.7686 |
Chemical Identifiers
| CAS Number | 389071-23-2 |
|---|---|
| SMILES | CCCCSC1=NN=C(N1C2=CC=CC(=C2)C(F)(F)F)CNC(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-] |
Product Overview
F0508-0020 (CAS 389071-23-2), with molecular formula C22H22F3N5O3S and molecular weight 493.14 g/mol. IUPAC: N-[[5-butylsulfanyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]-4-methyl-3-nitrobenzamide.
Chemical Property Profile of F0508-0020
Property Insights of F0508-0020
The XLogP value of 5.32492 indicates that F0508-0020 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.95 Ų falls within the moderate polarity range, balancing permeability and solubility for F0508-0020. Following Lipinski's Rule of Five, F0508-0020 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0508-0020?
The CAS number of F0508-0020 is 389071-23-2.
What is the molecular formula of F0508-0020?
The molecular formula of F0508-0020 is C22H22F3N5O3S.
What is the molecular weight of F0508-0020?
The molecular weight of F0508-0020 is 493.14 g/mol.
Where can I buy F0508-0020?
You can request a quote for F0508-0020 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0508-0020?
Yes, KEHONG BIO provides custom synthesis services for F0508-0020 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.