IFLab1_005244
TL;DR: IFLab1_005244 (CAS 202349-82-4) is a chemical compound with molecular formula C18H15N3O2S2 and molecular weight 369.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-cyano-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyridin-6-yl)sulfanyl]-N-phenylacetamide
Also Known As: IFLab1_005244, 2-{[3-cyano-6-oxo-4-(thiophen-2-yl)-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-phenylacetamide, 2-[(5-cyano-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyridin-6-yl)sulfanyl]-N-phenylacetamide, 2-((3-cyano-6-oxo-4-(thiophen-2-yl)-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-phenylacetamide
| Molecular Formula | C18H15N3O2S2 |
|---|---|
| Molecular Weight | 369.06 g/mol |
| LogP | 3.45868 |
| Topological Polar Surface Area | 81.99 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 369.06058 |
| Heavy Atoms | 25 |
| Complexity | 838.96106 |
Chemical Identifiers
| CAS Number | 202349-82-4 |
|---|---|
| SMILES | C1C(C(=C(NC1=O)SCC(=O)NC2=CC=CC=C2)C#N)C3=CC=CS3 |
Product Overview
IFLab1_005244 (CAS 202349-82-4), with molecular formula C18H15N3O2S2 and molecular weight 369.06 g/mol. IUPAC: 2-[(5-cyano-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyridin-6-yl)sulfanyl]-N-phenylacetamide.
Chemical Property Profile of IFLab1_005244
Property Insights of IFLab1_005244
The XLogP value of 3.45868 indicates that IFLab1_005244 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.99 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_005244. Following Lipinski's Rule of Five, IFLab1_005244 has 2 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_005244?
The CAS number of IFLab1_005244 is 202349-82-4.
What is the molecular formula of IFLab1_005244?
The molecular formula of IFLab1_005244 is C18H15N3O2S2.
What is the molecular weight of IFLab1_005244?
The molecular weight of IFLab1_005244 is 369.06 g/mol.
Where can I buy IFLab1_005244?
You can request a quote for IFLab1_005244 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_005244?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_005244 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.