F0631-0291
TL;DR: F0631-0291 (CAS 851969-24-9) is a chemical compound with molecular formula C22H21FN6O3S and molecular weight 468.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[4-(2-fluorophenyl)piperazin-1-yl]-(4-nitrophenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
Also Known As: F0631-0291, 5-{[4-(2-fluorophenyl)piperazin-1-yl](4-nitrophenyl)methyl}-2-methyl-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-ol, 5-((4-(2-fluorophenyl)piperazin-1-yl)(4-nitrophenyl)methyl)-2-methylthiazolo[3,2-b][1,2,4]triazol-6-ol, 5-[[4-(2-fluorophenyl)piperazin-1-yl]-(4-nitrophenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
| Molecular Formula | C22H21FN6O3S |
|---|---|
| Molecular Weight | 468.14 g/mol |
| LogP | 3.76372 |
| Topological Polar Surface Area | 100.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 468.138 |
| Heavy Atoms | 33 |
| Complexity | 1313.6724 |
Chemical Identifiers
| CAS Number | 851969-24-9 |
|---|---|
| SMILES | CC1=NN2C(=C(SC2=N1)C(C3=CC=C(C=C3)[N+](=O)[O-])N4CCN(CC4)C5=CC=CC=C5F)O |
Product Overview
F0631-0291 (CAS 851969-24-9), with molecular formula C22H21FN6O3S and molecular weight 468.14 g/mol. IUPAC: 5-[[4-(2-fluorophenyl)piperazin-1-yl]-(4-nitrophenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.
Chemical Property Profile of F0631-0291
Property Insights of F0631-0291
The XLogP value of 3.76372 indicates that F0631-0291 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.04 Ų falls within the moderate polarity range, balancing permeability and solubility for F0631-0291. Following Lipinski's Rule of Five, F0631-0291 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0631-0291?
The CAS number of F0631-0291 is 851969-24-9.
What is the molecular formula of F0631-0291?
The molecular formula of F0631-0291 is C22H21FN6O3S.
What is the molecular weight of F0631-0291?
The molecular weight of F0631-0291 is 468.14 g/mol.
Where can I buy F0631-0291?
You can request a quote for F0631-0291 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0631-0291?
Yes, KEHONG BIO provides custom synthesis services for F0631-0291 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.