F0631-0442
TL;DR: F0631-0442 (CAS 851970-30-4) is a chemical compound with molecular formula C20H20FN5OS2 and molecular weight 429.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[4-(4-fluorophenyl)piperazin-1-yl]-thiophen-2-ylmethyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
Also Known As: F0631-0442, 5-{[4-(4-fluorophenyl)piperazin-1-yl](thiophen-2-yl)methyl}-2-methyl-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-ol, 5-((4-(4-fluorophenyl)piperazin-1-yl)(thiophen-2-yl)methyl)-2-methylthiazolo[3,2-b][1,2,4]triazol-6-ol, 5-[[4-(4-fluorophenyl)piperazin-1-yl]-thiophen-2-ylmethyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
| Molecular Formula | C20H20FN5OS2 |
|---|---|
| Molecular Weight | 429.11 g/mol |
| LogP | 3.91702 |
| Topological Polar Surface Area | 56.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 429.10934 |
| Heavy Atoms | 29 |
| Complexity | 1114.1249 |
Chemical Identifiers
| CAS Number | 851970-30-4 |
|---|---|
| SMILES | CC1=NN2C(=C(SC2=N1)C(C3=CC=CS3)N4CCN(CC4)C5=CC=C(C=C5)F)O |
Product Overview
F0631-0442 (CAS 851970-30-4), with molecular formula C20H20FN5OS2 and molecular weight 429.11 g/mol. IUPAC: 5-[[4-(4-fluorophenyl)piperazin-1-yl]-thiophen-2-ylmethyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.
Chemical Property Profile of F0631-0442
Property Insights of F0631-0442
The XLogP value of 3.91702 indicates that F0631-0442 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.9 Ų, F0631-0442 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F0631-0442 has 1 hydrogen bond donor(s) and 7 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 F0631-0442?
The CAS number of F0631-0442 is 851970-30-4.
What is the molecular formula of F0631-0442?
The molecular formula of F0631-0442 is C20H20FN5OS2.
What is the molecular weight of F0631-0442?
The molecular weight of F0631-0442 is 429.11 g/mol.
Where can I buy F0631-0442?
You can request a quote for F0631-0442 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0631-0442?
Yes, KEHONG BIO provides custom synthesis services for F0631-0442 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.