F0507-0844
TL;DR: F0507-0844 (CAS 391899-52-8) is a chemical compound with molecular formula C26H21F4N5O2S and molecular weight 543.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-fluoro-N-[[5-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]benzamide
Also Known As: F0507-0844, 2-fluoro-N-((5-((2-oxo-2-(m-tolylamino)ethyl)thio)-4-(3-(trifluoromethyl)phenyl)-4H-1,2,4-triazol-3-yl)methyl)benzamide, 2-fluoro-N-[[5-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]benzamide, 2-fluoro-N-{[5-({[(3-methylphenyl)carbamoyl]methyl}sulfanyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]methyl}benzamide
| Molecular Formula | C26H21F4N5O2S |
|---|---|
| Molecular Weight | 543.14 g/mol |
| LogP | 5.39442 |
| Topological Polar Surface Area | 88.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 543.1352 |
| Heavy Atoms | 38 |
| Complexity | 1472.0265 |
Chemical Identifiers
| CAS Number | 391899-52-8 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC(=C3)C(F)(F)F)CNC(=O)C4=CC=CC=C4F |
Product Overview
F0507-0844 (CAS 391899-52-8), with molecular formula C26H21F4N5O2S and molecular weight 543.14 g/mol. IUPAC: 2-fluoro-N-[[5-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]benzamide.
Chemical Property Profile of F0507-0844
Property Insights of F0507-0844
The XLogP value of 5.39442 indicates that F0507-0844 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.91 Ų falls within the moderate polarity range, balancing permeability and solubility for F0507-0844. Following Lipinski's Rule of Five, F0507-0844 has 2 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 F0507-0844?
The CAS number of F0507-0844 is 391899-52-8.
What is the molecular formula of F0507-0844?
The molecular formula of F0507-0844 is C26H21F4N5O2S.
What is the molecular weight of F0507-0844?
The molecular weight of F0507-0844 is 543.14 g/mol.
Where can I buy F0507-0844?
You can request a quote for F0507-0844 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0507-0844?
Yes, KEHONG BIO provides custom synthesis services for F0507-0844 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.