F0631-0409
TL;DR: F0631-0409 (CAS 851970-06-4) is a chemical compound with molecular formula C21H23N5O2S and molecular weight 409.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-benzylpiperazin-1-yl)-(furan-2-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
Also Known As: F0631-0409, 5-[(4-benzylpiperazin-1-yl)(furan-2-yl)methyl]-2-methyl-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-ol, 5-((4-benzylpiperazin-1-yl)(furan-2-yl)methyl)-2-methylthiazolo[3,2-b][1,2,4]triazol-6-ol, 5-[(4-benzylpiperazin-1-yl)-(furan-2-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
| Molecular Formula | C21H23N5O2S |
|---|---|
| Molecular Weight | 409.16 g/mol |
| LogP | 3.30502 |
| Topological Polar Surface Area | 70.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 409.15726 |
| Heavy Atoms | 29 |
| Complexity | 1081.3899 |
Chemical Identifiers
| CAS Number | 851970-06-4 |
|---|---|
| SMILES | CC1=NN2C(=C(SC2=N1)C(C3=CC=CO3)N4CCN(CC4)CC5=CC=CC=C5)O |
Product Overview
F0631-0409 (CAS 851970-06-4), with molecular formula C21H23N5O2S and molecular weight 409.16 g/mol. IUPAC: 5-[(4-benzylpiperazin-1-yl)-(furan-2-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.
Chemical Property Profile of F0631-0409
Property Insights of F0631-0409
The XLogP value of 3.30502 indicates that F0631-0409 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.04 Ų falls within the moderate polarity range, balancing permeability and solubility for F0631-0409. Following Lipinski's Rule of Five, F0631-0409 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 F0631-0409?
The CAS number of F0631-0409 is 851970-06-4.
What is the molecular formula of F0631-0409?
The molecular formula of F0631-0409 is C21H23N5O2S.
What is the molecular weight of F0631-0409?
The molecular weight of F0631-0409 is 409.16 g/mol.
Where can I buy F0631-0409?
You can request a quote for F0631-0409 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0631-0409?
Yes, KEHONG BIO provides custom synthesis services for F0631-0409 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.