IFLab1_000559
TL;DR: IFLab1_000559 (CAS 330557-83-0) is a chemical compound with molecular formula C17H20N2O3S and molecular weight 332.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,5-dimethoxyphenyl)-2-oxo-6-propylsulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile
Also Known As: IFLab1_000559, BAS 00866190, IDI1_008778, 4-(2,5-dimethoxyphenyl)-6-oxo-2-(propylsulfanyl)-1,4,5,6-tetrahydropyridine-3-carbonitrile, AB00090404-01
| Molecular Formula | C17H20N2O3S |
|---|---|
| Molecular Weight | 332.12 g/mol |
| LogP | 3.18568 |
| Topological Polar Surface Area | 71.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 332.11948 |
| Heavy Atoms | 23 |
| Complexity | 664.2926 |
Chemical Identifiers
| CAS Number | 330557-83-0 |
|---|---|
| SMILES | CCCSC1=C(C(CC(=O)N1)C2=C(C=CC(=C2)OC)OC)C#N |
Product Overview
IFLab1_000559 (CAS 330557-83-0), with molecular formula C17H20N2O3S and molecular weight 332.12 g/mol. IUPAC: 4-(2,5-dimethoxyphenyl)-2-oxo-6-propylsulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile.
Chemical Property Profile of IFLab1_000559
Property Insights of IFLab1_000559
The XLogP value of 3.18568 indicates that IFLab1_000559 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.35 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_000559. Following Lipinski's Rule of Five, IFLab1_000559 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_000559?
The CAS number of IFLab1_000559 is 330557-83-0.
What is the molecular formula of IFLab1_000559?
The molecular formula of IFLab1_000559 is C17H20N2O3S.
What is the molecular weight of IFLab1_000559?
The molecular weight of IFLab1_000559 is 332.12 g/mol.
Where can I buy IFLab1_000559?
You can request a quote for IFLab1_000559 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_000559?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_000559 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.