Alpha-cyano-4-(dimethylamino)-cinnamamide
TL;DR: Alpha-cyano-4-(dimethylamino)-cinnamamide (CAS 3785-87-3) is a chemical compound with molecular formula C12H13N3O and molecular weight 215.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyano-3-[4-(dimethylamino)phenyl]prop-2-enamide
Also Known As: ALPHA-CYANO-4-(DIMETHYLAMINO)-CINNAMAMIDE, 2-Cyano-3-[4-(dimethylamino)phenyl]-2-propenamide, 2-cyano-3-[4-(dimethylamino)phenyl]prop-2-enamide, F 2385, 2-cyano-3-(4-dimethylaminophenyl)prop-2-enamide
| Molecular Formula | C12H13N3O |
|---|---|
| Molecular Weight | 215.11 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 70.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 215.10587 |
| Heavy Atoms | 16 |
| Complexity | 329.0 |
Chemical Identifiers
| CAS Number | 3785-87-3 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)C=C(C#N)C(=O)N |
| InChIKey | TVPUSDGUXXMGMH-UHFFFAOYSA-N |
Product Overview
Alpha-cyano-4-(dimethylamino)-cinnamamide (CAS 3785-87-3), with molecular formula C12H13N3O and molecular weight 215.11 g/mol. IUPAC: 2-cyano-3-[4-(dimethylamino)phenyl]prop-2-enamide.
Chemical Property Profile of Alpha-cyano-4-(dimethylamino)-cinnamamide
Property Insights of Alpha-cyano-4-(dimethylamino)-cinnamamide
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Alpha-cyano-4-(dimethylamino)-cinnamamide. The TPSA of 70.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Alpha-cyano-4-(dimethylamino)-cinnamamide. Following Lipinski's Rule of Five, Alpha-cyano-4-(dimethylamino)-cinnamamide 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 Alpha-cyano-4-(dimethylamino)-cinnamamide?
The CAS number of Alpha-cyano-4-(dimethylamino)-cinnamamide is 3785-87-3.
What is the molecular formula of Alpha-cyano-4-(dimethylamino)-cinnamamide?
The molecular formula of Alpha-cyano-4-(dimethylamino)-cinnamamide is C12H13N3O.
What is the molecular weight of Alpha-cyano-4-(dimethylamino)-cinnamamide?
The molecular weight of Alpha-cyano-4-(dimethylamino)-cinnamamide is 215.11 g/mol.
Where can I buy Alpha-cyano-4-(dimethylamino)-cinnamamide?
You can request a quote for Alpha-cyano-4-(dimethylamino)-cinnamamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Alpha-cyano-4-(dimethylamino)-cinnamamide?
Yes, KEHONG BIO provides custom synthesis services for Alpha-cyano-4-(dimethylamino)-cinnamamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.