(1H-吲哚-3-基)乙烯-1,1,2-三甲腈
TL;DR: (1H-吲哚-3-基)乙烯-1,1,2-三甲腈 (CAS 143288-28-2) is a chemical compound with molecular formula C13H6N4 and molecular weight 218.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1H-吲哚-3-基)乙烯-1,1,2-三甲腈
2-(1H-indol-3-yl)ethene-1,1,2-tricarbonitrile
Also Known As: 3-tricyanovinylindole, 3-(Tricyanovinyl)-1H-indole, (1H-Indol-3-yl)ethene-1,1,2-tricarbonitrile, 2,3-dicyano-3-(3-indolyl)acrylonitrile, 2-(1h-indol-3-yl)ethene-1,1,2-tricarbonitrile
| Molecular Formula | C13H6N4 |
|---|---|
| Molecular Weight | 218.06 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 87.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 218.05925 |
| Heavy Atoms | 17 |
| Complexity | 471.0 |
Chemical Identifiers
| CAS Number | 143288-28-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2)C(=C(C#N)C#N)C#N |
| InChIKey | OXWKGNTUTLLMEW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(1H-吲哚-3-基)乙烯-1,1,2-三甲腈 (CAS 143288-28-2), with molecular formula C13H6N4 and molecular weight 218.06 g/mol. IUPAC: 2-(1H-indol-3-yl)ethene-1,1,2-tricarbonitrile.
Chemical Property Profile of (1H-吲哚-3-基)乙烯-1,1,2-三甲腈
Property Insights of (1H-吲哚-3-基)乙烯-1,1,2-三甲腈
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1H-吲哚-3-基)乙烯-1,1,2-三甲腈. The TPSA of 87.2 Ų falls within the moderate polarity range, balancing permeability and solubility for (1H-吲哚-3-基)乙烯-1,1,2-三甲腈. Following Lipinski's Rule of Five, (1H-吲哚-3-基)乙烯-1,1,2-三甲腈 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 (1H-吲哚-3-基)乙烯-1,1,2-三甲腈?
The CAS number of (1H-吲哚-3-基)乙烯-1,1,2-三甲腈 is 143288-28-2.
What is the molecular formula of (1H-吲哚-3-基)乙烯-1,1,2-三甲腈?
The molecular formula of (1H-吲哚-3-基)乙烯-1,1,2-三甲腈 is C13H6N4.
What is the molecular weight of (1H-吲哚-3-基)乙烯-1,1,2-三甲腈?
The molecular weight of (1H-吲哚-3-基)乙烯-1,1,2-三甲腈 is 218.06 g/mol.
Where can I buy (1H-吲哚-3-基)乙烯-1,1,2-三甲腈?
You can request a quote for (1H-吲哚-3-基)乙烯-1,1,2-三甲腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1H-吲哚-3-基)乙烯-1,1,2-三甲腈?
Yes, KEHONG BIO provides custom synthesis services for (1H-吲哚-3-基)乙烯-1,1,2-三甲腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.