TimTec1_006507
TL;DR: TimTec1_006507 (CAS 201424-83-1) is a chemical compound with molecular formula C15H20N2OS and molecular weight 276.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethyl-7,7-dimethyl-2-methylsulfanyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile
Also Known As: TimTec1_006507, BAS 01279674, 4-ethyl-7,7-dimethyl-2-(methylsulfanyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 4-ethyl-7,7-dimethyl-2-methylsulfanyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile, 4-ethyl-7,7-dimethyl-2-(methylthio)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
| Molecular Formula | C15H20N2OS |
|---|---|
| Molecular Weight | 276.13 g/mol |
| LogP | 3.35718 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 276.12964 |
| Heavy Atoms | 19 |
| Complexity | 522.7539 |
Chemical Identifiers
| CAS Number | 201424-83-1 |
|---|---|
| SMILES | CCC1C(=C(NC2=C1C(=O)CC(C2)(C)C)SC)C#N |
Product Overview
TimTec1_006507 (CAS 201424-83-1), with molecular formula C15H20N2OS and molecular weight 276.13 g/mol. IUPAC: 4-ethyl-7,7-dimethyl-2-methylsulfanyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of TimTec1_006507
Property Insights of TimTec1_006507
The XLogP value of 3.35718 indicates that TimTec1_006507 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_006507 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, TimTec1_006507 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_006507?
The CAS number of TimTec1_006507 is 201424-83-1.
What is the molecular formula of TimTec1_006507?
The molecular formula of TimTec1_006507 is C15H20N2OS.
What is the molecular weight of TimTec1_006507?
The molecular weight of TimTec1_006507 is 276.13 g/mol.
Where can I buy TimTec1_006507?
You can request a quote for TimTec1_006507 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_006507?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_006507 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.