2-amino-4-(1H-indol-5-yl)buta-1,3-diene-1,1,3-tricarbonitrile
TL;DR: 2-amino-4-(1H-indol-5-yl)buta-1,3-diene-1,1,3-tricarbonitrile (CAS 133550-06-8) is a chemical compound with molecular formula C15H9N5 and molecular weight 259.0858 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-amino-4-(1H-indol-5-yl)buta-1,3-diene-1,1,3-tricarbonitrile
Also Known As: TYRPHOSTIN B7, Tyrphostin AG 370, KBio2_000114, KBio2_000534, KBio2_002682
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C15H9N5 |
| Molecular Weight | 259.0858 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 113.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 259.0858 Da |
| Heavy Atoms | 20 |
| Complexity | 582.0 |
| SMILES | C1=CC2=C(C=CN2)C=C1C=C(C#N)C(=C(C#N)C#N)N |
| InChIKey | CMMDWEJTQUTCKG-UHFFFAOYSA-N |
Product Description
Applications: 2-amino-4-(1H-indol-5-yl)buta-1,3-diene-1,1,3-tricarbonitrile is used in pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
2-amino-4-(1H-indol-5-yl)buta-1,3-diene-1,1,3-tricarbonitrile is a pharmaceutical intermediate identified by CAS number 133550-06-8 and the molecular formula C15H9N5 and a molecular weight of 259.09 g/mol. Synonyms include TYRPHOSTIN B7 and ACMC-20muzf.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 2-amino-4-(1H-indol-5-yl)buta-1,3-diene-1,1,3-tricarbonitrile
Property Insights of 2-amino-4-(1H-indol-5-yl)buta-1,3-diene-1,1,3-tricarbonitrile
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-amino-4-(1H-indol-5-yl)buta-1,3-diene-1,1,3-tricarbonitrile. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-amino-4-(1H-indol-5-yl)buta-1,3-diene-1,1,3-tricarbonitrile. Following Lipinski's Rule of Five, 2-amino-4-(1H-indol-5-yl)buta-1,3-diene-1,1,3-tricarbonitrile has 2 hydrogen bond donor(s) and 4 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-amino-4-(1H-indol-5-yl)buta-1,3-diene-1,1,3-tricarbonitrile?
The CAS number of 2-amino-4-(1H-indol-5-yl)buta-1,3-diene-1,1,3-tricarbonitrile is 133550-06-8.
What is the molecular formula of 2-amino-4-(1H-indol-5-yl)buta-1,3-diene-1,1,3-tricarbonitrile?
The molecular formula of 2-amino-4-(1H-indol-5-yl)buta-1,3-diene-1,1,3-tricarbonitrile is C15H9N5.
What is the molecular weight of 2-amino-4-(1H-indol-5-yl)buta-1,3-diene-1,1,3-tricarbonitrile?
The molecular weight of 2-amino-4-(1H-indol-5-yl)buta-1,3-diene-1,1,3-tricarbonitrile is 259.0858 g/mol.
What are the applications of 2-amino-4-(1H-indol-5-yl)buta-1,3-diene-1,1,3-tricarbonitrile?
2-amino-4-(1H-indol-5-yl)buta-1,3-diene-1,1,3-tricarbonitrile is used in pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with...
Where can I buy 2-amino-4-(1H-indol-5-yl)buta-1,3-diene-1,1,3-tricarbonitrile?
You can request a quote for 2-amino-4-(1H-indol-5-yl)buta-1,3-diene-1,1,3-tricarbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-amino-4-(1H-indol-5-yl)buta-1,3-diene-1,1,3-tricarbonitrile?
Yes, CoreyChem provides custom synthesis services for 2-amino-4-(1H-indol-5-yl)buta-1,3-diene-1,1,3-tricarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.