IFLab1_004117
TL;DR: IFLab1_004117 (CAS 314260-53-2) is a chemical compound with molecular formula C17H14N4OS2 and molecular weight 354.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide
Also Known As: IFLab1_004117, AF-399/15031016, 2-(benzo[4,5]thiazolo[2,3-c][1,2,4]triazol-3-ylthio)-N-benzylacetamide, F0863-0356, N-benzyl-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylsulfanyl)acetamide
| Molecular Formula | C17H14N4OS2 |
|---|---|
| Molecular Weight | 354.06 g/mol |
| LogP | 3.3525 |
| Topological Polar Surface Area | 59.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 354.0609 |
| Heavy Atoms | 24 |
| Complexity | 993.60315 |
Chemical Identifiers
| CAS Number | 314260-53-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(=O)CSC2=NN=C3N2C4=CC=CC=C4S3 |
Product Overview
IFLab1_004117 (CAS 314260-53-2), with molecular formula C17H14N4OS2 and molecular weight 354.06 g/mol. IUPAC: N-benzyl-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide.
Chemical Property Profile of IFLab1_004117
Property Insights of IFLab1_004117
The XLogP value of 3.3525 indicates that IFLab1_004117 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.29 Ų, IFLab1_004117 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, IFLab1_004117 has 1 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_004117?
The CAS number of IFLab1_004117 is 314260-53-2.
What is the molecular formula of IFLab1_004117?
The molecular formula of IFLab1_004117 is C17H14N4OS2.
What is the molecular weight of IFLab1_004117?
The molecular weight of IFLab1_004117 is 354.06 g/mol.
Where can I buy IFLab1_004117?
You can request a quote for IFLab1_004117 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_004117?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_004117 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.