F0631-0110
TL;DR: F0631-0110 (CAS 851809-75-1) is a chemical compound with molecular formula C22H21BrClN5OS and molecular weight 517.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-bromophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
Also Known As: F0631-0110, 5-[(4-bromophenyl)[4-(3-chlorophenyl)piperazin-1-yl]methyl]-2-methyl-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-ol, 5-((4-bromophenyl)(4-(3-chlorophenyl)piperazin-1-yl)methyl)-2-methylthiazolo[3,2-b][1,2,4]triazol-6-ol, 5-[(4-bromophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
| Molecular Formula | C22H21BrClN5OS |
|---|---|
| Molecular Weight | 517.03 g/mol |
| LogP | 5.13232 |
| Topological Polar Surface Area | 56.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 517.0339 |
| Heavy Atoms | 31 |
| Complexity | 1216.6023 |
Chemical Identifiers
| CAS Number | 851809-75-1 |
|---|---|
| SMILES | CC1=NN2C(=C(SC2=N1)C(C3=CC=C(C=C3)Br)N4CCN(CC4)C5=CC(=CC=C5)Cl)O |
Product Overview
F0631-0110 (CAS 851809-75-1), with molecular formula C22H21BrClN5OS and molecular weight 517.03 g/mol. IUPAC: 5-[(4-bromophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.
Chemical Property Profile of F0631-0110
Property Insights of F0631-0110
The XLogP value of 5.13232 indicates that F0631-0110 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.9 Ų, F0631-0110 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F0631-0110 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 F0631-0110?
The CAS number of F0631-0110 is 851809-75-1.
What is the molecular formula of F0631-0110?
The molecular formula of F0631-0110 is C22H21BrClN5OS.
What is the molecular weight of F0631-0110?
The molecular weight of F0631-0110 is 517.03 g/mol.
Where can I buy F0631-0110?
You can request a quote for F0631-0110 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0631-0110?
Yes, KEHONG BIO provides custom synthesis services for F0631-0110 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.