IFLab1_002963
TL;DR: IFLab1_002963 (CAS 851810-47-4) is a chemical compound with molecular formula C17H20FN5OS and molecular weight 361.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(3-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
Also Known As: IFLab1_002963, IDI1_009422, F0631-0223, 5-((3-fluorophenyl)(4-methylpiperazin-1-yl)methyl)-2-methylthiazolo[3,2-b][1,2,4]triazol-6-ol, 5-[(3-fluorophenyl)(4-methylpiperazin-1-yl)methyl]-2-methyl-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-ol
| Molecular Formula | C17H20FN5OS |
|---|---|
| Molecular Weight | 361.14 g/mol |
| LogP | 2.28072 |
| Topological Polar Surface Area | 56.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 361.13727 |
| Heavy Atoms | 25 |
| Complexity | 899.7155 |
Chemical Identifiers
| CAS Number | 851810-47-4 |
|---|---|
| SMILES | CC1=NN2C(=C(SC2=N1)C(C3=CC(=CC=C3)F)N4CCN(CC4)C)O |
Product Overview
IFLab1_002963 (CAS 851810-47-4), with molecular formula C17H20FN5OS and molecular weight 361.14 g/mol. IUPAC: 5-[(3-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.
Chemical Property Profile of IFLab1_002963
Property Insights of IFLab1_002963
The XLogP value of 2.28072 suggests moderate lipophilicity, balancing water solubility and membrane permeability for IFLab1_002963. With a topological polar surface area (TPSA) of 56.9 Ų, IFLab1_002963 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, IFLab1_002963 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 IFLab1_002963?
The CAS number of IFLab1_002963 is 851810-47-4.
What is the molecular formula of IFLab1_002963?
The molecular formula of IFLab1_002963 is C17H20FN5OS.
What is the molecular weight of IFLab1_002963?
The molecular weight of IFLab1_002963 is 361.14 g/mol.
Where can I buy IFLab1_002963?
You can request a quote for IFLab1_002963 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_002963?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_002963 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.