3-isoquinolin-3-yl-N-phenylprop-2-enamide
TL;DR: 3-isoquinolin-3-yl-N-phenylprop-2-enamide (CAS 20768-31-4) is a chemical compound with molecular formula C18H14N2O and molecular weight 274.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-isoquinolin-3-yl-N-phenylprop-2-enamide
Also Known As: 3-isoquinolin-3-yl-N-phenylprop-2-enamide, (E)-3-isoquinolin-3-yl-N-phenylprop-2-enamide
| Molecular Formula | C18H14N2O |
|---|---|
| Molecular Weight | 274.11 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 42.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 274.11063 |
| Heavy Atoms | 21 |
| Complexity | 373.0 |
Chemical Identifiers
| CAS Number | 20768-31-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=O)C=CC2=CC3=CC=CC=C3C=N2 |
| InChIKey | ODXLDGYZSRPFEI-UHFFFAOYSA-N |
Product Overview
3-isoquinolin-3-yl-N-phenylprop-2-enamide (CAS 20768-31-4), with molecular formula C18H14N2O and molecular weight 274.11 g/mol. IUPAC: 3-isoquinolin-3-yl-N-phenylprop-2-enamide.
Chemical Property Profile of 3-isoquinolin-3-yl-N-phenylprop-2-enamide
Property Insights of 3-isoquinolin-3-yl-N-phenylprop-2-enamide
The XLogP value of 3.4 indicates that 3-isoquinolin-3-yl-N-phenylprop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.0 Ų, 3-isoquinolin-3-yl-N-phenylprop-2-enamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-isoquinolin-3-yl-N-phenylprop-2-enamide 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
Frequently Asked Questions
What is the CAS number of 3-isoquinolin-3-yl-N-phenylprop-2-enamide?
The CAS number of 3-isoquinolin-3-yl-N-phenylprop-2-enamide is 20768-31-4.
What is the molecular formula of 3-isoquinolin-3-yl-N-phenylprop-2-enamide?
The molecular formula of 3-isoquinolin-3-yl-N-phenylprop-2-enamide is C18H14N2O.
What is the molecular weight of 3-isoquinolin-3-yl-N-phenylprop-2-enamide?
The molecular weight of 3-isoquinolin-3-yl-N-phenylprop-2-enamide is 274.11 g/mol.
Where can I buy 3-isoquinolin-3-yl-N-phenylprop-2-enamide?
You can request a quote for 3-isoquinolin-3-yl-N-phenylprop-2-enamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-isoquinolin-3-yl-N-phenylprop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for 3-isoquinolin-3-yl-N-phenylprop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.