2-cyano-3-(dimethylamino)-N-phenylacrylamide
TL;DR: 2-cyano-3-(dimethylamino)-N-phenylacrylamide (CAS 87164-96-3) 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.
(E)-2-cyano-3-(dimethylamino)-N-phenylprop-2-enamide
Also Known As: 2-cyano-3-(dimethylamino)-N-phenylacrylamide, (2E)-2-cyano-3-(dimethylamino)-N-phenylprop-2-enamide, (E)-2-cyano-3-(dimethylamino)-N-phenylprop-2-enamide, (2E)-2-cyano-3-(dimethylamino)-N-phenylacrylamide, 2-cyano-3-dimethylamino-N-phenyl-prop-2-enamide
| Molecular Formula | C12H13N3O |
|---|---|
| Molecular Weight | 215.11 g/mol |
| LogP | 1.59418 |
| Topological Polar Surface Area | 56.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 215.10587 |
| Heavy Atoms | 16 |
| Complexity | 429.32715 |
Chemical Identifiers
| CAS Number | 87164-96-3 |
|---|---|
| SMILES | CN(C)/C=C(\C#N)/C(=O)NC1=CC=CC=C1 |
Product Overview
2-cyano-3-(dimethylamino)-N-phenylacrylamide (CAS 87164-96-3), with molecular formula C12H13N3O and molecular weight 215.11 g/mol. IUPAC: (E)-2-cyano-3-(dimethylamino)-N-phenylprop-2-enamide.
Chemical Property Profile of 2-cyano-3-(dimethylamino)-N-phenylacrylamide
Property Insights of 2-cyano-3-(dimethylamino)-N-phenylacrylamide
The XLogP value of 1.59418 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-cyano-3-(dimethylamino)-N-phenylacrylamide. With a topological polar surface area (TPSA) of 56.13 Ų, 2-cyano-3-(dimethylamino)-N-phenylacrylamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-cyano-3-(dimethylamino)-N-phenylacrylamide 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 2-cyano-3-(dimethylamino)-N-phenylacrylamide?
The CAS number of 2-cyano-3-(dimethylamino)-N-phenylacrylamide is 87164-96-3.
What is the molecular formula of 2-cyano-3-(dimethylamino)-N-phenylacrylamide?
The molecular formula of 2-cyano-3-(dimethylamino)-N-phenylacrylamide is C12H13N3O.
What is the molecular weight of 2-cyano-3-(dimethylamino)-N-phenylacrylamide?
The molecular weight of 2-cyano-3-(dimethylamino)-N-phenylacrylamide is 215.11 g/mol.
Where can I buy 2-cyano-3-(dimethylamino)-N-phenylacrylamide?
You can request a quote for 2-cyano-3-(dimethylamino)-N-phenylacrylamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-cyano-3-(dimethylamino)-N-phenylacrylamide?
Yes, KEHONG BIO provides custom synthesis services for 2-cyano-3-(dimethylamino)-N-phenylacrylamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.