F0507-0852
TL;DR: F0507-0852 (CAS 391899-59-5) is a chemical compound with molecular formula C22H16F4N6O2S2 and molecular weight 536.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-fluoro-N-[[5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]benzamide
Also Known As: F0507-0852, 2-fluoro-N-((5-((2-oxo-2-(thiazol-2-ylamino)ethyl)thio)-4-(3-(trifluoromethyl)phenyl)-4H-1,2,4-triazol-3-yl)methyl)benzamide, 2-fluoro-N-{[5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]methyl}benzamide, 2-fluoro-N-[[5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]benzamide
| Molecular Formula | C22H16F4N6O2S2 |
|---|---|
| Molecular Weight | 536.07 g/mol |
| LogP | 4.5425 |
| Topological Polar Surface Area | 101.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 536.0712 |
| Heavy Atoms | 36 |
| Complexity | 1375.1279 |
Chemical Identifiers
| CAS Number | 391899-59-5 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)NCC2=NN=C(N2C3=CC=CC(=C3)C(F)(F)F)SCC(=O)NC4=NC=CS4)F |
Product Overview
F0507-0852 (CAS 391899-59-5), with molecular formula C22H16F4N6O2S2 and molecular weight 536.07 g/mol. IUPAC: 2-fluoro-N-[[5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]benzamide.
Chemical Property Profile of F0507-0852
Property Insights of F0507-0852
The XLogP value of 4.5425 indicates that F0507-0852 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.8 Ų falls within the moderate polarity range, balancing permeability and solubility for F0507-0852. Following Lipinski's Rule of Five, F0507-0852 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0507-0852?
The CAS number of F0507-0852 is 391899-59-5.
What is the molecular formula of F0507-0852?
The molecular formula of F0507-0852 is C22H16F4N6O2S2.
What is the molecular weight of F0507-0852?
The molecular weight of F0507-0852 is 536.07 g/mol.
Where can I buy F0507-0852?
You can request a quote for F0507-0852 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0507-0852?
Yes, KEHONG BIO provides custom synthesis services for F0507-0852 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.