IFLab1_000786
TL;DR: IFLab1_000786 (CAS 304683-83-8) is a chemical compound with molecular formula C17H15N5OS2 and molecular weight 369.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
Also Known As: IFLab1_000786, F0306-0366, 2-([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)-N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)acetamide, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-{[1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl}acetamide, N-(3-cyano(4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl))-2-(4-hydro-1,2,4-triazolo [4,5-a]pyridin-3-ylthio)acetamide
| Molecular Formula | C17H15N5OS2 |
|---|---|
| Molecular Weight | 369.07 g/mol |
| LogP | 3.27208 |
| Topological Polar Surface Area | 83.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 369.0718 |
| Heavy Atoms | 25 |
| Complexity | 984.7432 |
Chemical Identifiers
| CAS Number | 304683-83-8 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)CSC3=NN=C4N3C=CC=C4)C#N |
Product Overview
IFLab1_000786 (CAS 304683-83-8), with molecular formula C17H15N5OS2 and molecular weight 369.07 g/mol. IUPAC: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide.
Chemical Property Profile of IFLab1_000786
Property Insights of IFLab1_000786
The XLogP value of 3.27208 indicates that IFLab1_000786 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.08 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_000786. Following Lipinski's Rule of Five, IFLab1_000786 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_000786?
The CAS number of IFLab1_000786 is 304683-83-8.
What is the molecular formula of IFLab1_000786?
The molecular formula of IFLab1_000786 is C17H15N5OS2.
What is the molecular weight of IFLab1_000786?
The molecular weight of IFLab1_000786 is 369.07 g/mol.
Where can I buy IFLab1_000786?
You can request a quote for IFLab1_000786 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_000786?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_000786 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.