2-(1-Azepanylcarbonyl)-3-(5-phenyl-2-furyl)acrylonitrile
TL;DR: 2-(1-Azepanylcarbonyl)-3-(5-phenyl-2-furyl)acrylonitrile (CAS 327062-69-1) is a chemical compound with molecular formula C20H20N2O2 and molecular weight 320.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-(azepane-1-carbonyl)-3-(5-phenylfuran-2-yl)prop-2-enenitrile
Also Known As: BAS 00793896, BIM-0036966.P001, 2-(1-azepanylcarbonyl)-3-(5-phenyl-2-furyl)acrylonitrile, F0344-1382, (E)-2-(azepane-1-carbonyl)-3-(5-phenylfuran-2-yl)prop-2-enenitrile
| Molecular Formula | C20H20N2O2 |
|---|---|
| Molecular Weight | 320.15 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 57.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 320.15247 |
| Heavy Atoms | 24 |
| Complexity | 505.0 |
Chemical Identifiers
| CAS Number | 327062-69-1 |
|---|---|
| SMILES | C1CCCN(CC1)C(=O)/C(=C/C2=CC=C(O2)C3=CC=CC=C3)/C#N |
| InChIKey | LQUUZPVTRSREGR-SAPNQHFASA-N |
Product Overview
2-(1-Azepanylcarbonyl)-3-(5-phenyl-2-furyl)acrylonitrile (CAS 327062-69-1), with molecular formula C20H20N2O2 and molecular weight 320.15 g/mol. IUPAC: (E)-2-(azepane-1-carbonyl)-3-(5-phenylfuran-2-yl)prop-2-enenitrile.
Chemical Property Profile of 2-(1-Azepanylcarbonyl)-3-(5-phenyl-2-furyl)acrylonitrile
Property Insights of 2-(1-Azepanylcarbonyl)-3-(5-phenyl-2-furyl)acrylonitrile
The XLogP value of 3.7 indicates that 2-(1-Azepanylcarbonyl)-3-(5-phenyl-2-furyl)acrylonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.2 Ų, 2-(1-Azepanylcarbonyl)-3-(5-phenyl-2-furyl)acrylonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1-Azepanylcarbonyl)-3-(5-phenyl-2-furyl)acrylonitrile has 0 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-(1-Azepanylcarbonyl)-3-(5-phenyl-2-furyl)acrylonitrile?
The CAS number of 2-(1-Azepanylcarbonyl)-3-(5-phenyl-2-furyl)acrylonitrile is 327062-69-1.
What is the molecular formula of 2-(1-Azepanylcarbonyl)-3-(5-phenyl-2-furyl)acrylonitrile?
The molecular formula of 2-(1-Azepanylcarbonyl)-3-(5-phenyl-2-furyl)acrylonitrile is C20H20N2O2.
What is the molecular weight of 2-(1-Azepanylcarbonyl)-3-(5-phenyl-2-furyl)acrylonitrile?
The molecular weight of 2-(1-Azepanylcarbonyl)-3-(5-phenyl-2-furyl)acrylonitrile is 320.15 g/mol.
Where can I buy 2-(1-Azepanylcarbonyl)-3-(5-phenyl-2-furyl)acrylonitrile?
You can request a quote for 2-(1-Azepanylcarbonyl)-3-(5-phenyl-2-furyl)acrylonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1-Azepanylcarbonyl)-3-(5-phenyl-2-furyl)acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-Azepanylcarbonyl)-3-(5-phenyl-2-furyl)acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.