IFLab1_005111
TL;DR: IFLab1_005111 (CAS 374693-57-9) is a chemical compound with molecular formula C16H18N4OS2 and molecular weight 346.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methylpiperidin-1-yl)-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)ethanone
Also Known As: IFLab1_005111, 2-(4-methylpiperidin-1-yl)-2-oxoethyl [1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-yl sulfide, VU0064081-2, AF-399/40684355, F1174-0366
| Molecular Formula | C16H18N4OS2 |
|---|---|
| Molecular Weight | 346.09 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 346.0922 |
| Heavy Atoms | 23 |
| Complexity | 444.0 |
Chemical Identifiers
| CAS Number | 374693-57-9 |
|---|---|
| SMILES | CC1CCN(CC1)C(=O)CSC2=NN=C3N2C4=CC=CC=C4S3 |
| InChIKey | RUYSMPJYEJBJPC-UHFFFAOYSA-N |
Product Overview
IFLab1_005111 (CAS 374693-57-9), with molecular formula C16H18N4OS2 and molecular weight 346.09 g/mol. IUPAC: 1-(4-methylpiperidin-1-yl)-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)ethanone.
Chemical Property Profile of IFLab1_005111
Property Insights of IFLab1_005111
The XLogP value of 4.4 indicates that IFLab1_005111 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_005111. Following Lipinski's Rule of Five, IFLab1_005111 has 0 hydrogen bond donor(s) and 5 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_005111?
The CAS number of IFLab1_005111 is 374693-57-9.
What is the molecular formula of IFLab1_005111?
The molecular formula of IFLab1_005111 is C16H18N4OS2.
What is the molecular weight of IFLab1_005111?
The molecular weight of IFLab1_005111 is 346.09 g/mol.
Where can I buy IFLab1_005111?
You can request a quote for IFLab1_005111 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_005111?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_005111 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.