IFLab1_005882
TL;DR: IFLab1_005882 (CAS 693240-77-6) is a chemical compound with molecular formula C19H17N3O3S and molecular weight 367.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-2-[[5-cyano-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide
Also Known As: IFLab1_005882, IDI1_011285, N-benzyl-2-{[3-cyano-4-(furan-2-yl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide, N-benzyl-2-((3-cyano-4-(furan-2-yl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)acetamide, N-benzyl-2-{[3-cyano-4-(furan-2-yl)-6-hydroxy-4,5-dihydropyridin-2-yl]sulfanyl}acetamide
| Molecular Formula | C19H17N3O3S |
|---|---|
| Molecular Weight | 367.10 g/mol |
| LogP | 2.66788 |
| Topological Polar Surface Area | 95.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 367.09906 |
| Heavy Atoms | 26 |
| Complexity | 853.9094 |
Chemical Identifiers
| CAS Number | 693240-77-6 |
|---|---|
| SMILES | C1C(C(=C(NC1=O)SCC(=O)NCC2=CC=CC=C2)C#N)C3=CC=CO3 |
Product Overview
IFLab1_005882 (CAS 693240-77-6), with molecular formula C19H17N3O3S and molecular weight 367.10 g/mol. IUPAC: N-benzyl-2-[[5-cyano-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide.
Chemical Property Profile of IFLab1_005882
Property Insights of IFLab1_005882
The XLogP value of 2.66788 suggests moderate lipophilicity, balancing water solubility and membrane permeability for IFLab1_005882. The TPSA of 95.13 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_005882. Following Lipinski's Rule of Five, IFLab1_005882 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_005882?
The CAS number of IFLab1_005882 is 693240-77-6.
What is the molecular formula of IFLab1_005882?
The molecular formula of IFLab1_005882 is C19H17N3O3S.
What is the molecular weight of IFLab1_005882?
The molecular weight of IFLab1_005882 is 367.10 g/mol.
Where can I buy IFLab1_005882?
You can request a quote for IFLab1_005882 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_005882?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_005882 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.