IFLab1_000603
TL;DR: IFLab1_000603 (CAS 316360-64-2) is a chemical compound with molecular formula C18H20N2OS and molecular weight 312.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-oxo-4-(4-propan-2-ylphenyl)-6-prop-2-enylsulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile
Also Known As: IFLab1_000603, IDI1_008822, AE-848/11419238, 2-(allylsulfanyl)-4-(4-isopropylphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile, 2-(allylthio)-4-(4-isopropylphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
| Molecular Formula | C18H20N2OS |
|---|---|
| Molecular Weight | 312.13 g/mol |
| LogP | 4.06788 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 312.12964 |
| Heavy Atoms | 22 |
| Complexity | 638.04614 |
Chemical Identifiers
| CAS Number | 316360-64-2 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)C2CC(=O)NC(=C2C#N)SCC=C |
Product Overview
IFLab1_000603 (CAS 316360-64-2), with molecular formula C18H20N2OS and molecular weight 312.13 g/mol. IUPAC: 2-oxo-4-(4-propan-2-ylphenyl)-6-prop-2-enylsulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile.
Chemical Property Profile of IFLab1_000603
Property Insights of IFLab1_000603
The XLogP value of 4.06788 indicates that IFLab1_000603 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.89 Ų, IFLab1_000603 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, IFLab1_000603 has 1 hydrogen bond donor(s) and 3 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_000603?
The CAS number of IFLab1_000603 is 316360-64-2.
What is the molecular formula of IFLab1_000603?
The molecular formula of IFLab1_000603 is C18H20N2OS.
What is the molecular weight of IFLab1_000603?
The molecular weight of IFLab1_000603 is 312.13 g/mol.
Where can I buy IFLab1_000603?
You can request a quote for IFLab1_000603 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_000603?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_000603 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.