TimTec1_003685
TL;DR: TimTec1_003685 (CAS 375827-97-7) is a chemical compound with molecular formula C18H17N3O2S and molecular weight 339.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-ethoxyphenyl)-2-oxo-6-prop-2-enylsulfanyl-3,4-dihydro-1H-pyridine-3,5-dicarbonitrile
Also Known As: TimTec1_003685, BAS 02589955, 6-(allylthio)-4-(2-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3,5-dicarbonitrile, 4-(2-ethoxyphenyl)-2-oxo-6-prop-2-enylsulfanyl-3,4-dihydro-1H-pyridine-3,5-dicarbonitrile, A2366/0100004
| Molecular Formula | C18H17N3O2S |
|---|---|
| Molecular Weight | 339.10 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 339.10416 |
| Heavy Atoms | 24 |
| Complexity | 625.0 |
Chemical Identifiers
| CAS Number | 375827-97-7 |
|---|---|
| SMILES | CCOC1=CC=CC=C1C2C(C(=O)NC(=C2C#N)SCC=C)C#N |
| InChIKey | IBUQJZKOGSOOCN-UHFFFAOYSA-N |
Product Overview
TimTec1_003685 (CAS 375827-97-7), with molecular formula C18H17N3O2S and molecular weight 339.10 g/mol. IUPAC: 4-(2-ethoxyphenyl)-2-oxo-6-prop-2-enylsulfanyl-3,4-dihydro-1H-pyridine-3,5-dicarbonitrile.
Chemical Property Profile of TimTec1_003685
Property Insights of TimTec1_003685
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for TimTec1_003685. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for TimTec1_003685. Following Lipinski's Rule of Five, TimTec1_003685 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 TimTec1_003685?
The CAS number of TimTec1_003685 is 375827-97-7.
What is the molecular formula of TimTec1_003685?
The molecular formula of TimTec1_003685 is C18H17N3O2S.
What is the molecular weight of TimTec1_003685?
The molecular weight of TimTec1_003685 is 339.10 g/mol.
Where can I buy TimTec1_003685?
You can request a quote for TimTec1_003685 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_003685?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_003685 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.