2-(5-ethylthiophen-2-yl)-3-formyl-1H-indole-5-carbonitrile
TL;DR: 2-(5-ethylthiophen-2-yl)-3-formyl-1H-indole-5-carbonitrile (CAS 587827-97-2) is a chemical compound with molecular formula C16H12N2OS and molecular weight 280.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-ethylthiophen-2-yl)-3-formyl-1H-indole-5-carbonitrile
Also Known As: 2-(5-ethylthiophen-2-yl)-3-formyl-1H-indole-5-carbonitrile
| Molecular Formula | C16H12N2OS |
|---|---|
| Molecular Weight | 280.07 g/mol |
| LogP | 4.14298 |
| Topological Polar Surface Area | 56.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 280.06705 |
| Heavy Atoms | 20 |
| Complexity | 835.8945 |
Chemical Identifiers
| CAS Number | 587827-97-2 |
|---|---|
| SMILES | CCC1=CC=C(S1)C2=C(C3=C(N2)C=CC(=C3)C#N)C=O |
Product Overview
2-(5-ethylthiophen-2-yl)-3-formyl-1H-indole-5-carbonitrile (CAS 587827-97-2), with molecular formula C16H12N2OS and molecular weight 280.07 g/mol. IUPAC: 2-(5-ethylthiophen-2-yl)-3-formyl-1H-indole-5-carbonitrile.
Chemical Property Profile of 2-(5-ethylthiophen-2-yl)-3-formyl-1H-indole-5-carbonitrile
Property Insights of 2-(5-ethylthiophen-2-yl)-3-formyl-1H-indole-5-carbonitrile
The XLogP value of 4.14298 indicates that 2-(5-ethylthiophen-2-yl)-3-formyl-1H-indole-5-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.65 Ų, 2-(5-ethylthiophen-2-yl)-3-formyl-1H-indole-5-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(5-ethylthiophen-2-yl)-3-formyl-1H-indole-5-carbonitrile 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 2-(5-ethylthiophen-2-yl)-3-formyl-1H-indole-5-carbonitrile?
The CAS number of 2-(5-ethylthiophen-2-yl)-3-formyl-1H-indole-5-carbonitrile is 587827-97-2.
What is the molecular formula of 2-(5-ethylthiophen-2-yl)-3-formyl-1H-indole-5-carbonitrile?
The molecular formula of 2-(5-ethylthiophen-2-yl)-3-formyl-1H-indole-5-carbonitrile is C16H12N2OS.
What is the molecular weight of 2-(5-ethylthiophen-2-yl)-3-formyl-1H-indole-5-carbonitrile?
The molecular weight of 2-(5-ethylthiophen-2-yl)-3-formyl-1H-indole-5-carbonitrile is 280.07 g/mol.
Where can I buy 2-(5-ethylthiophen-2-yl)-3-formyl-1H-indole-5-carbonitrile?
You can request a quote for 2-(5-ethylthiophen-2-yl)-3-formyl-1H-indole-5-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(5-ethylthiophen-2-yl)-3-formyl-1H-indole-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(5-ethylthiophen-2-yl)-3-formyl-1H-indole-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.