IFLab1_003095
TL;DR: IFLab1_003095 (CAS 851970-15-5) is a chemical compound with molecular formula C16H20N4OS2 and molecular weight 348.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-5-[(4-methylpiperidin-1-yl)-thiophen-2-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
Also Known As: IFLab1_003095, IDI1_009554, F0631-0423, 2-methyl-5-((4-methylpiperidin-1-yl)(thiophen-2-yl)methyl)thiazolo[3,2-b][1,2,4]triazol-6-ol, 2-methyl-5-[(4-methylpiperidin-1-yl)(thiophen-2-yl)methyl]-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-ol
| Molecular Formula | C16H20N4OS2 |
|---|---|
| Molecular Weight | 348.11 g/mol |
| LogP | 3.68762 |
| Topological Polar Surface Area | 53.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 348.10785 |
| Heavy Atoms | 23 |
| Complexity | 799.6321 |
Chemical Identifiers
| CAS Number | 851970-15-5 |
|---|---|
| SMILES | CC1CCN(CC1)C(C2=CC=CS2)C3=C(N4C(=NC(=N4)C)S3)O |
Product Overview
IFLab1_003095 (CAS 851970-15-5), with molecular formula C16H20N4OS2 and molecular weight 348.11 g/mol. IUPAC: 2-methyl-5-[(4-methylpiperidin-1-yl)-thiophen-2-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.
Chemical Property Profile of IFLab1_003095
Property Insights of IFLab1_003095
The XLogP value of 3.68762 indicates that IFLab1_003095 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.66 Ų, IFLab1_003095 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, IFLab1_003095 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_003095?
The CAS number of IFLab1_003095 is 851970-15-5.
What is the molecular formula of IFLab1_003095?
The molecular formula of IFLab1_003095 is C16H20N4OS2.
What is the molecular weight of IFLab1_003095?
The molecular weight of IFLab1_003095 is 348.11 g/mol.
Where can I buy IFLab1_003095?
You can request a quote for IFLab1_003095 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_003095?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_003095 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.