TimTec1_006728
TL;DR: TimTec1_006728 (CAS 332050-52-9) is a chemical compound with molecular formula C16H18N2OS and molecular weight 286.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methylsulfanyl-2-oxo-4-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyridine-5-carbonitrile
Also Known As: TimTec1_006728, BAS 00865801, 6-methylsulfanyl-2-oxo-4-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyridine-5-carbonitrile, AE-848/37018132, 4-(4-isopropylphenyl)-2-(methylsulfanyl)-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarbonitrile
| Molecular Formula | C16H18N2OS |
|---|---|
| Molecular Weight | 286.11 g/mol |
| LogP | 3.51168 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 286.11398 |
| Heavy Atoms | 20 |
| Complexity | 581.48956 |
Chemical Identifiers
| CAS Number | 332050-52-9 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)C2CC(=O)NC(=C2C#N)SC |
Product Overview
TimTec1_006728 (CAS 332050-52-9), with molecular formula C16H18N2OS and molecular weight 286.11 g/mol. IUPAC: 6-methylsulfanyl-2-oxo-4-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyridine-5-carbonitrile.
Chemical Property Profile of TimTec1_006728
Property Insights of TimTec1_006728
The XLogP value of 3.51168 indicates that TimTec1_006728 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.89 Ų, TimTec1_006728 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, TimTec1_006728 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 TimTec1_006728?
The CAS number of TimTec1_006728 is 332050-52-9.
What is the molecular formula of TimTec1_006728?
The molecular formula of TimTec1_006728 is C16H18N2OS.
What is the molecular weight of TimTec1_006728?
The molecular weight of TimTec1_006728 is 286.11 g/mol.
Where can I buy TimTec1_006728?
You can request a quote for TimTec1_006728 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_006728?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_006728 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.