Alpha-cyano-3-indoleacrylonitrile
TL;DR: Alpha-cyano-3-indoleacrylonitrile (CAS 5154-39-2) is a chemical compound with molecular formula C12H7N3 and molecular weight 193.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1H-indol-3-ylmethylidene)propanedinitrile
Also Known As: (1h-indol-3-ylmethylene)malononitrile, 2-(1H-indol-3-ylmethylidene)propanedinitrile, 2-((1H-Indol-3-yl)methylene)malononitrile, Maybridge1_007156, Indole-Containing Inhibitor 6
| Molecular Formula | C12H7N3 |
|---|---|
| Molecular Weight | 193.06 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 63.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 193.064 |
| Heavy Atoms | 15 |
| Complexity | 347.0 |
Chemical Identifiers
| CAS Number | 5154-39-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2)C=C(C#N)C#N |
| InChIKey | KCGMQWDGOQQAGN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Alpha-cyano-3-indoleacrylonitrile (CAS 5154-39-2), with molecular formula C12H7N3 and molecular weight 193.06 g/mol. IUPAC: 2-(1H-indol-3-ylmethylidene)propanedinitrile.
Chemical Property Profile of Alpha-cyano-3-indoleacrylonitrile
Property Insights of Alpha-cyano-3-indoleacrylonitrile
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Alpha-cyano-3-indoleacrylonitrile. The TPSA of 63.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Alpha-cyano-3-indoleacrylonitrile. Following Lipinski's Rule of Five, Alpha-cyano-3-indoleacrylonitrile has 1 hydrogen bond donor(s) and 2 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 Alpha-cyano-3-indoleacrylonitrile?
The CAS number of Alpha-cyano-3-indoleacrylonitrile is 5154-39-2.
What is the molecular formula of Alpha-cyano-3-indoleacrylonitrile?
The molecular formula of Alpha-cyano-3-indoleacrylonitrile is C12H7N3.
What is the molecular weight of Alpha-cyano-3-indoleacrylonitrile?
The molecular weight of Alpha-cyano-3-indoleacrylonitrile is 193.06 g/mol.
Where can I buy Alpha-cyano-3-indoleacrylonitrile?
You can request a quote for Alpha-cyano-3-indoleacrylonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Alpha-cyano-3-indoleacrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for Alpha-cyano-3-indoleacrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.