IFLab1_001853
TL;DR: IFLab1_001853 (CAS 361166-76-9) is a chemical compound with molecular formula C17H15N3O3S and molecular weight 341.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[3,5-dicyano-4-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetate
Also Known As: IFLab1_001853, methyl {[3,5-dicyano-6-hydroxy-4-(2-methylphenyl)-4,5-dihydropyridin-2-yl]sulfanyl}acetate, methyl 2-((3,5-dicyano-6-oxo-4-(o-tolyl)-1,4,5,6-tetrahydropyridin-2-yl)thio)acetate, methyl 2-[[3,5-dicyano-4-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetate, METHYL 2-{[3,5-DICYANO-4-(2-METHYLPHENYL)-6-OXO-1,4,5,6-TETRAHYDROPYRIDIN-2-YL]SULFANYL}ACETATE
| Molecular Formula | C17H15N3O3S |
|---|---|
| Molecular Weight | 341.08 g/mol |
| LogP | 1.98958 |
| Topological Polar Surface Area | 102.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 341.0834 |
| Heavy Atoms | 24 |
| Complexity | 789.00586 |
Chemical Identifiers
| CAS Number | 361166-76-9 |
|---|---|
| SMILES | CC1=CC=CC=C1C2C(C(=O)NC(=C2C#N)SCC(=O)OC)C#N |
Product Overview
IFLab1_001853 (CAS 361166-76-9), with molecular formula C17H15N3O3S and molecular weight 341.08 g/mol. IUPAC: methyl 2-[[3,5-dicyano-4-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetate.
Chemical Property Profile of IFLab1_001853
Property Insights of IFLab1_001853
The XLogP value of 1.98958 suggests moderate lipophilicity, balancing water solubility and membrane permeability for IFLab1_001853. The TPSA of 102.98 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_001853. Following Lipinski's Rule of Five, IFLab1_001853 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_001853?
The CAS number of IFLab1_001853 is 361166-76-9.
What is the molecular formula of IFLab1_001853?
The molecular formula of IFLab1_001853 is C17H15N3O3S.
What is the molecular weight of IFLab1_001853?
The molecular weight of IFLab1_001853 is 341.08 g/mol.
Where can I buy IFLab1_001853?
You can request a quote for IFLab1_001853 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_001853?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_001853 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.