F0631-0286
TL;DR: F0631-0286 (CAS 851969-19-2) is a chemical compound with molecular formula C18H22N6O4S and molecular weight 418.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[4-(2-hydroxyethyl)piperazin-1-yl]-(4-nitrophenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
Also Known As: F0631-0286, 5-((4-(2-hydroxyethyl)piperazin-1-yl)(4-nitrophenyl)methyl)-2-methylthiazolo[3,2-b][1,2,4]triazol-6-ol, 5-{[4-(2-hydroxyethyl)piperazin-1-yl](4-nitrophenyl)methyl}-2-methyl-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-ol, 5-[[4-(2-hydroxyethyl)piperazin-1-yl]-(4-nitrophenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
| Molecular Formula | C18H22N6O4S |
|---|---|
| Molecular Weight | 418.14 g/mol |
| LogP | 1.41232 |
| Topological Polar Surface Area | 120.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 418.14233 |
| Heavy Atoms | 29 |
| Complexity | 1009.4551 |
Chemical Identifiers
| CAS Number | 851969-19-2 |
|---|---|
| SMILES | CC1=NN2C(=C(SC2=N1)C(C3=CC=C(C=C3)[N+](=O)[O-])N4CCN(CC4)CCO)O |
Product Overview
F0631-0286 (CAS 851969-19-2), with molecular formula C18H22N6O4S and molecular weight 418.14 g/mol. IUPAC: 5-[[4-(2-hydroxyethyl)piperazin-1-yl]-(4-nitrophenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.
Chemical Property Profile of F0631-0286
Property Insights of F0631-0286
The XLogP value of 1.41232 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0631-0286. The TPSA of 120.27 Ų falls within the moderate polarity range, balancing permeability and solubility for F0631-0286. Following Lipinski's Rule of Five, F0631-0286 has 2 hydrogen bond donor(s) and 9 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 F0631-0286?
The CAS number of F0631-0286 is 851969-19-2.
What is the molecular formula of F0631-0286?
The molecular formula of F0631-0286 is C18H22N6O4S.
What is the molecular weight of F0631-0286?
The molecular weight of F0631-0286 is 418.14 g/mol.
Where can I buy F0631-0286?
You can request a quote for F0631-0286 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0631-0286?
Yes, KEHONG BIO provides custom synthesis services for F0631-0286 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.