2-(1H-indol-5-ylmethylidene)propanedinitrile
TL;DR: 2-(1H-indol-5-ylmethylidene)propanedinitrile (CAS 133550-09-1) is a chemical compound with molecular formula C12H7N3 and molecular weight 193.064 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(1H-indol-5-ylmethylidene)propanedinitrile
Also Known As: Tyrphostin deriv. 13, Tyrphostin AG-410, 2-(1H-indol-5-ylmethylidene)propanedinitrile, Propanedinitrile, (1H-indol-5-ylmethylene)-, [(1H-Indol-5-yl)methylene]malononitrile
Technical Specifications
| Molecular Formula | C12H7N3 |
| Molecular Weight | 193.064 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 63.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 193.064 Da |
| Heavy Atoms | 15 |
| Complexity | 347.0 |
| SMILES | C1=CC2=C(C=CN2)C=C1C=C(C#N)C#N |
| InChIKey | WXKRFPWLMFBHAV-UHFFFAOYSA-N |
Chemical Property Profile of 2-(1H-indol-5-ylmethylidene)propanedinitrile
Property Insights of 2-(1H-indol-5-ylmethylidene)propanedinitrile
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1H-indol-5-ylmethylidene)propanedinitrile. The TPSA of 63.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1H-indol-5-ylmethylidene)propanedinitrile. Following Lipinski's Rule of Five, 2-(1H-indol-5-ylmethylidene)propanedinitrile 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
What is the CAS number of 2-(1H-indol-5-ylmethylidene)propanedinitrile?
The CAS number of 2-(1H-indol-5-ylmethylidene)propanedinitrile is 133550-09-1.
What is the molecular formula of 2-(1H-indol-5-ylmethylidene)propanedinitrile?
The molecular formula of 2-(1H-indol-5-ylmethylidene)propanedinitrile is C12H7N3.
What is the molecular weight of 2-(1H-indol-5-ylmethylidene)propanedinitrile?
The molecular weight of 2-(1H-indol-5-ylmethylidene)propanedinitrile is 193.064 g/mol.
Where can I buy 2-(1H-indol-5-ylmethylidene)propanedinitrile?
You can request a quote for 2-(1H-indol-5-ylmethylidene)propanedinitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(1H-indol-5-ylmethylidene)propanedinitrile?
Yes, CoreyChem provides custom synthesis services for 2-(1H-indol-5-ylmethylidene)propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.