IFLab1_001941
TL;DR: IFLab1_001941 (CAS 375361-56-1) is a chemical compound with molecular formula C16H15N3O2S and molecular weight 313.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-ethylsulfanyl-4-(2-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3,5-dicarbonitrile
Also Known As: IFLab1_001941, BAS 02589953, 6-(ethylthio)-4-(2-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3,5-dicarbonitrile, F0423-0069, 6-(ethylsulfanyl)-4-(2-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3,5-dicarbonitrile
| Molecular Formula | C16H15N3O2S |
|---|---|
| Molecular Weight | 313.09 g/mol |
| LogP | 2.53666 |
| Topological Polar Surface Area | 85.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 313.0885 |
| Heavy Atoms | 22 |
| Complexity | 700.0778 |
Chemical Identifiers
| CAS Number | 375361-56-1 |
|---|---|
| SMILES | CCSC1=C(C(C(C(=O)N1)C#N)C2=CC=CC=C2OC)C#N |
Product Overview
IFLab1_001941 (CAS 375361-56-1), with molecular formula C16H15N3O2S and molecular weight 313.09 g/mol. IUPAC: 6-ethylsulfanyl-4-(2-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3,5-dicarbonitrile.
Chemical Property Profile of IFLab1_001941
Property Insights of IFLab1_001941
The XLogP value of 2.53666 suggests moderate lipophilicity, balancing water solubility and membrane permeability for IFLab1_001941. The TPSA of 85.91 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_001941. Following Lipinski's Rule of Five, IFLab1_001941 has 1 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_001941?
The CAS number of IFLab1_001941 is 375361-56-1.
What is the molecular formula of IFLab1_001941?
The molecular formula of IFLab1_001941 is C16H15N3O2S.
What is the molecular weight of IFLab1_001941?
The molecular weight of IFLab1_001941 is 313.09 g/mol.
Where can I buy IFLab1_001941?
You can request a quote for IFLab1_001941 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_001941?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_001941 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.