Alpha-cyano-3-indoleacrylamide
TL;DR: Alpha-cyano-3-indoleacrylamide (CAS 168463-95-4) is a chemical compound with molecular formula C12H9N3O and molecular weight 211.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyano-3-(1H-indol-3-yl)prop-2-enamide
Also Known As: 2-cyano-3-(1H-indol-3-yl)prop-2-enamide, alpha-Cyano-3-indoleacrylamide, (S)-N-benzyl-2-aminopropan-1-ol, 2-cyano-3-(1H-indol-3-yl)acrylamide, 2-Cyano-3-(1H-indol-3-yl)-acrylamide
| Molecular Formula | C12H9N3O |
|---|---|
| Molecular Weight | 211.07 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 82.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 211.07455 |
| Heavy Atoms | 16 |
| Complexity | 366.0 |
Chemical Identifiers
| CAS Number | 168463-95-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2)C=C(C#N)C(=O)N |
| InChIKey | NLJUQIIPXVMEAA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Alpha-cyano-3-indoleacrylamide (CAS 168463-95-4), with molecular formula C12H9N3O and molecular weight 211.07 g/mol. IUPAC: 2-cyano-3-(1H-indol-3-yl)prop-2-enamide.
Chemical Property Profile of Alpha-cyano-3-indoleacrylamide
Property Insights of Alpha-cyano-3-indoleacrylamide
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Alpha-cyano-3-indoleacrylamide. The TPSA of 82.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Alpha-cyano-3-indoleacrylamide. Following Lipinski's Rule of Five, Alpha-cyano-3-indoleacrylamide has 2 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-indoleacrylamide?
The CAS number of Alpha-cyano-3-indoleacrylamide is 168463-95-4.
What is the molecular formula of Alpha-cyano-3-indoleacrylamide?
The molecular formula of Alpha-cyano-3-indoleacrylamide is C12H9N3O.
What is the molecular weight of Alpha-cyano-3-indoleacrylamide?
The molecular weight of Alpha-cyano-3-indoleacrylamide is 211.07 g/mol.
Where can I buy Alpha-cyano-3-indoleacrylamide?
You can request a quote for Alpha-cyano-3-indoleacrylamide 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-indoleacrylamide?
Yes, KEHONG BIO provides custom synthesis services for Alpha-cyano-3-indoleacrylamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.