TimTec1_006816
TL;DR: TimTec1_006816 (CAS 331852-35-8) is a chemical compound with molecular formula C16H16N2O2S and molecular weight 300.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methoxyphenyl)-2-oxo-6-prop-2-enylsulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile
Also Known As: TimTec1_006816, BAS 00635169, 4-(4-methoxyphenyl)-6-oxo-2-(prop-2-en-1-ylsulfanyl)-1,4,5,6-tetrahydropyridine-3-carbonitrile, 4-(4-methoxyphenyl)-2-oxo-6-prop-2-enylsulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile, 2-(allylthio)-4-(4-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
| Molecular Formula | C16H16N2O2S |
|---|---|
| Molecular Weight | 300.09 g/mol |
| LogP | 2.95308 |
| Topological Polar Surface Area | 62.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 300.09326 |
| Heavy Atoms | 21 |
| Complexity | 614.1593 |
Chemical Identifiers
| CAS Number | 331852-35-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2CC(=O)NC(=C2C#N)SCC=C |
Product Overview
TimTec1_006816 (CAS 331852-35-8), with molecular formula C16H16N2O2S and molecular weight 300.09 g/mol. IUPAC: 4-(4-methoxyphenyl)-2-oxo-6-prop-2-enylsulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile.
Chemical Property Profile of TimTec1_006816
Property Insights of TimTec1_006816
The XLogP value of 2.95308 suggests moderate lipophilicity, balancing water solubility and membrane permeability for TimTec1_006816. The TPSA of 62.12 Ų falls within the moderate polarity range, balancing permeability and solubility for TimTec1_006816. Following Lipinski's Rule of Five, TimTec1_006816 has 1 hydrogen bond donor(s) and 4 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_006816?
The CAS number of TimTec1_006816 is 331852-35-8.
What is the molecular formula of TimTec1_006816?
The molecular formula of TimTec1_006816 is C16H16N2O2S.
What is the molecular weight of TimTec1_006816?
The molecular weight of TimTec1_006816 is 300.09 g/mol.
Where can I buy TimTec1_006816?
You can request a quote for TimTec1_006816 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_006816?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_006816 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.