F0631-0079
TL;DR: F0631-0079 (CAS 851809-52-4) is a chemical compound with molecular formula C23H24ClN5OS and molecular weight 453.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-benzylpiperazin-1-yl)-(4-chlorophenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
Also Known As: F0631-0079, 5-((4-benzylpiperazin-1-yl)(4-chlorophenyl)methyl)-2-methylthiazolo[3,2-b][1,2,4]triazol-6-ol, 5-[(4-benzylpiperazin-1-yl)(4-chlorophenyl)methyl]-2-methyl-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-ol, 5-[(4-benzylpiperazin-1-yl)-(4-chlorophenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
| Molecular Formula | C23H24ClN5OS |
|---|---|
| Molecular Weight | 453.14 g/mol |
| LogP | 4.36542 |
| Topological Polar Surface Area | 56.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 453.139 |
| Heavy Atoms | 31 |
| Complexity | 1166.1302 |
Chemical Identifiers
| CAS Number | 851809-52-4 |
|---|---|
| SMILES | CC1=NN2C(=C(SC2=N1)C(C3=CC=C(C=C3)Cl)N4CCN(CC4)CC5=CC=CC=C5)O |
Product Overview
F0631-0079 (CAS 851809-52-4), with molecular formula C23H24ClN5OS and molecular weight 453.14 g/mol. IUPAC: 5-[(4-benzylpiperazin-1-yl)-(4-chlorophenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.
Chemical Property Profile of F0631-0079
Property Insights of F0631-0079
The XLogP value of 4.36542 indicates that F0631-0079 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.9 Ų, F0631-0079 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F0631-0079 has 1 hydrogen bond donor(s) and 6 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 F0631-0079?
The CAS number of F0631-0079 is 851809-52-4.
What is the molecular formula of F0631-0079?
The molecular formula of F0631-0079 is C23H24ClN5OS.
What is the molecular weight of F0631-0079?
The molecular weight of F0631-0079 is 453.14 g/mol.
Where can I buy F0631-0079?
You can request a quote for F0631-0079 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0631-0079?
Yes, KEHONG BIO provides custom synthesis services for F0631-0079 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.