F0631-0112
TL;DR: F0631-0112 (CAS 851809-77-3) is a chemical compound with molecular formula C22H21BrFN5OS and molecular weight 501.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-bromophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
Also Known As: F0631-0112, 5-((4-bromophenyl)(4-(4-fluorophenyl)piperazin-1-yl)methyl)-2-methylthiazolo[3,2-b][1,2,4]triazol-6-ol, 5-[(4-bromophenyl)[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-methyl-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-ol, 5-[(4-bromophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
| Molecular Formula | C22H21BrFN5OS |
|---|---|
| Molecular Weight | 501.06 g/mol |
| LogP | 4.61802 |
| Topological Polar Surface Area | 56.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 501.06342 |
| Heavy Atoms | 31 |
| Complexity | 1199.3523 |
Chemical Identifiers
| CAS Number | 851809-77-3 |
|---|---|
| SMILES | CC1=NN2C(=C(SC2=N1)C(C3=CC=C(C=C3)Br)N4CCN(CC4)C5=CC=C(C=C5)F)O |
Product Overview
F0631-0112 (CAS 851809-77-3), with molecular formula C22H21BrFN5OS and molecular weight 501.06 g/mol. IUPAC: 5-[(4-bromophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.
Chemical Property Profile of F0631-0112
Property Insights of F0631-0112
The XLogP value of 4.61802 indicates that F0631-0112 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.9 Ų, F0631-0112 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F0631-0112 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0631-0112?
The CAS number of F0631-0112 is 851809-77-3.
What is the molecular formula of F0631-0112?
The molecular formula of F0631-0112 is C22H21BrFN5OS.
What is the molecular weight of F0631-0112?
The molecular weight of F0631-0112 is 501.06 g/mol.
Where can I buy F0631-0112?
You can request a quote for F0631-0112 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0631-0112?
Yes, KEHONG BIO provides custom synthesis services for F0631-0112 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.