F0507-0845
TL;DR: F0507-0845 (CAS 391899-53-9) is a chemical compound with molecular formula C26H21F4N5O3S and molecular weight 559.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-fluoro-N-[[5-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]benzamide
Also Known As: F0507-0845, 2-fluoro-N-{[5-({[(4-methoxyphenyl)carbamoyl]methyl}sulfanyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]methyl}benzamide, 2-fluoro-N-((5-((2-((4-methoxyphenyl)amino)-2-oxoethyl)thio)-4-(3-(trifluoromethyl)phenyl)-4H-1,2,4-triazol-3-yl)methyl)benzamide, 2-fluoro-N-[[5-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]benzamide
| Molecular Formula | C26H21F4N5O3S |
|---|---|
| Molecular Weight | 559.13 g/mol |
| LogP | 5.0946 |
| Topological Polar Surface Area | 98.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 559.1301 |
| Heavy Atoms | 39 |
| Complexity | 1475.202 |
Chemical Identifiers
| CAS Number | 391899-53-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC(=C3)C(F)(F)F)CNC(=O)C4=CC=CC=C4F |
Product Overview
F0507-0845 (CAS 391899-53-9), with molecular formula C26H21F4N5O3S and molecular weight 559.13 g/mol. IUPAC: 2-fluoro-N-[[5-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]benzamide.
Chemical Property Profile of F0507-0845
Property Insights of F0507-0845
The XLogP value of 5.0946 indicates that F0507-0845 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.14 Ų falls within the moderate polarity range, balancing permeability and solubility for F0507-0845. Following Lipinski's Rule of Five, F0507-0845 has 2 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 F0507-0845?
The CAS number of F0507-0845 is 391899-53-9.
What is the molecular formula of F0507-0845?
The molecular formula of F0507-0845 is C26H21F4N5O3S.
What is the molecular weight of F0507-0845?
The molecular weight of F0507-0845 is 559.13 g/mol.
Where can I buy F0507-0845?
You can request a quote for F0507-0845 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0507-0845?
Yes, KEHONG BIO provides custom synthesis services for F0507-0845 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.