F0507-2119
TL;DR: F0507-2119 (CAS 391917-91-2) is a chemical compound with molecular formula C28H27FN4O2S and molecular weight 502.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butyl-N-[[4-(4-fluorophenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide
Also Known As: F0507-2119, 4-tert-butyl-N-{[4-(4-fluorophenyl)-5-[(2-oxo-2-phenylethyl)sulfanyl]-4H-1,2,4-triazol-3-yl]methyl}benzamide, 4-tert-butyl-N-[[4-(4-fluorophenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide, 4-(tert-butyl)-N-((4-(4-fluorophenyl)-5-((2-oxo-2-phenylethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)benzamide, N-[[4-(4-fluorophenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]-4-tert-butyl-benzamide
| Molecular Formula | C28H27FN4O2S |
|---|---|
| Molecular Weight | 502.18 g/mol |
| LogP | 5.6089 |
| Topological Polar Surface Area | 76.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 502.18387 |
| Heavy Atoms | 36 |
| Complexity | 1345.3226 |
Chemical Identifiers
| CAS Number | 391917-91-2 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)NCC2=NN=C(N2C3=CC=C(C=C3)F)SCC(=O)C4=CC=CC=C4 |
Product Overview
F0507-2119 (CAS 391917-91-2), with molecular formula C28H27FN4O2S and molecular weight 502.18 g/mol. IUPAC: 4-tert-butyl-N-[[4-(4-fluorophenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide.
Chemical Property Profile of F0507-2119
Property Insights of F0507-2119
The XLogP value of 5.6089 indicates that F0507-2119 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.88 Ų falls within the moderate polarity range, balancing permeability and solubility for F0507-2119. Following Lipinski's Rule of Five, F0507-2119 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0507-2119?
The CAS number of F0507-2119 is 391917-91-2.
What is the molecular formula of F0507-2119?
The molecular formula of F0507-2119 is C28H27FN4O2S.
What is the molecular weight of F0507-2119?
The molecular weight of F0507-2119 is 502.18 g/mol.
Where can I buy F0507-2119?
You can request a quote for F0507-2119 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0507-2119?
Yes, KEHONG BIO provides custom synthesis services for F0507-2119 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.