IFLab1_004993
TL;DR: IFLab1_004993 (CAS 442865-58-9) is a chemical compound with molecular formula C16H13N5OS2 and molecular weight 355.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
Also Known As: IFLab1_004993, F1174-3235, 2-([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)acetamide, N-{3-cyano-4H,5H,6H-cyclopenta[b]thiophen-2-yl}-2-{[1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl}acetamide, N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
| Molecular Formula | C16H13N5OS2 |
|---|---|
| Molecular Weight | 355.06 g/mol |
| LogP | 2.88198 |
| Topological Polar Surface Area | 83.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 355.05615 |
| Heavy Atoms | 24 |
| Complexity | 968.6571 |
Chemical Identifiers
| CAS Number | 442865-58-9 |
|---|---|
| SMILES | C1CC2=C(C1)SC(=C2C#N)NC(=O)CSC3=NN=C4N3C=CC=C4 |
Product Overview
IFLab1_004993 (CAS 442865-58-9), with molecular formula C16H13N5OS2 and molecular weight 355.06 g/mol. IUPAC: N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide.
Chemical Property Profile of IFLab1_004993
Property Insights of IFLab1_004993
The XLogP value of 2.88198 suggests moderate lipophilicity, balancing water solubility and membrane permeability for IFLab1_004993. The TPSA of 83.08 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_004993. Following Lipinski's Rule of Five, IFLab1_004993 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_004993?
The CAS number of IFLab1_004993 is 442865-58-9.
What is the molecular formula of IFLab1_004993?
The molecular formula of IFLab1_004993 is C16H13N5OS2.
What is the molecular weight of IFLab1_004993?
The molecular weight of IFLab1_004993 is 355.06 g/mol.
Where can I buy IFLab1_004993?
You can request a quote for IFLab1_004993 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_004993?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_004993 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.