IFLab1_005838
TL;DR: IFLab1_005838 (CAS 693231-08-2) is a chemical compound with molecular formula C18H21N3O3S and molecular weight 359.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-cyano-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-cyclohexylacetamide
Also Known As: IFLab1_005838, IDI1_011241, 2-((3-cyano-4-(furan-2-yl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-cyclohexylacetamide, 2-{[3-cyano-4-(furan-2-yl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-cyclohexylacetamide, 2-{[3-cyano-4-(furan-2-yl)-6-hydroxy-4,5-dihydropyridin-2-yl]sulfanyl}-N-cyclohexylacetamide
| Molecular Formula | C18H21N3O3S |
|---|---|
| Molecular Weight | 359.13 g/mol |
| LogP | 2.80038 |
| Topological Polar Surface Area | 95.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 359.13037 |
| Heavy Atoms | 25 |
| Complexity | 699.64856 |
Chemical Identifiers
| CAS Number | 693231-08-2 |
|---|---|
| SMILES | C1CCC(CC1)NC(=O)CSC2=C(C(CC(=O)N2)C3=CC=CO3)C#N |
Product Overview
IFLab1_005838 (CAS 693231-08-2), with molecular formula C18H21N3O3S and molecular weight 359.13 g/mol. IUPAC: 2-[[5-cyano-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-cyclohexylacetamide.
Chemical Property Profile of IFLab1_005838
Property Insights of IFLab1_005838
The XLogP value of 2.80038 suggests moderate lipophilicity, balancing water solubility and membrane permeability for IFLab1_005838. The TPSA of 95.13 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_005838. Following Lipinski's Rule of Five, IFLab1_005838 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_005838?
The CAS number of IFLab1_005838 is 693231-08-2.
What is the molecular formula of IFLab1_005838?
The molecular formula of IFLab1_005838 is C18H21N3O3S.
What is the molecular weight of IFLab1_005838?
The molecular weight of IFLab1_005838 is 359.13 g/mol.
Where can I buy IFLab1_005838?
You can request a quote for IFLab1_005838 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_005838?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_005838 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.