1-(2-Thienyl)-2-(1,3,3-trimethylindolin-2-ylidene)ethan-1-one
TL;DR: 1-(2-Thienyl)-2-(1,3,3-trimethylindolin-2-ylidene)ethan-1-one (CAS 85654-16-6) is a chemical compound with molecular formula C17H17NOS and molecular weight 283.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-1-thiophen-2-yl-2-(1,3,3-trimethylindol-2-ylidene)ethanone
Also Known As: 1-(2-thienyl)-2-(1,3,3-trimethylindolin-2-ylidene)ethan-1-one, (2E)-1-thiophen-2-yl-2-(1,3,3-trimethylindol-2-ylidene)ethanone, (E)-1-(thiophen-2-yl)-2-(1,3,3-trimethylindolin-2-ylidene)ethanone, (2E)-1-(thiophen-2-yl)-2-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)ethanone
| Molecular Formula | C17H17NOS |
|---|---|
| Molecular Weight | 283.10 g/mol |
| LogP | 4.2423 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 283.1031 |
| Heavy Atoms | 20 |
| Complexity | 682.7754 |
Chemical Identifiers
| CAS Number | 85654-16-6 |
|---|---|
| SMILES | CC\1(C2=CC=CC=C2N(/C1=C/C(=O)C3=CC=CS3)C)C |
Product Overview
1-(2-Thienyl)-2-(1,3,3-trimethylindolin-2-ylidene)ethan-1-one (CAS 85654-16-6), with molecular formula C17H17NOS and molecular weight 283.10 g/mol. IUPAC: (2E)-1-thiophen-2-yl-2-(1,3,3-trimethylindol-2-ylidene)ethanone.
Chemical Property Profile of 1-(2-Thienyl)-2-(1,3,3-trimethylindolin-2-ylidene)ethan-1-one
Property Insights of 1-(2-Thienyl)-2-(1,3,3-trimethylindolin-2-ylidene)ethan-1-one
The XLogP value of 4.2423 indicates that 1-(2-Thienyl)-2-(1,3,3-trimethylindolin-2-ylidene)ethan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.31 Ų, 1-(2-Thienyl)-2-(1,3,3-trimethylindolin-2-ylidene)ethan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Thienyl)-2-(1,3,3-trimethylindolin-2-ylidene)ethan-1-one has 0 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 1-(2-Thienyl)-2-(1,3,3-trimethylindolin-2-ylidene)ethan-1-one?
The CAS number of 1-(2-Thienyl)-2-(1,3,3-trimethylindolin-2-ylidene)ethan-1-one is 85654-16-6.
What is the molecular formula of 1-(2-Thienyl)-2-(1,3,3-trimethylindolin-2-ylidene)ethan-1-one?
The molecular formula of 1-(2-Thienyl)-2-(1,3,3-trimethylindolin-2-ylidene)ethan-1-one is C17H17NOS.
What is the molecular weight of 1-(2-Thienyl)-2-(1,3,3-trimethylindolin-2-ylidene)ethan-1-one?
The molecular weight of 1-(2-Thienyl)-2-(1,3,3-trimethylindolin-2-ylidene)ethan-1-one is 283.10 g/mol.
Where can I buy 1-(2-Thienyl)-2-(1,3,3-trimethylindolin-2-ylidene)ethan-1-one?
You can request a quote for 1-(2-Thienyl)-2-(1,3,3-trimethylindolin-2-ylidene)ethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Thienyl)-2-(1,3,3-trimethylindolin-2-ylidene)ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Thienyl)-2-(1,3,3-trimethylindolin-2-ylidene)ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.