(E)-2-cyano-3-(3-fluorophenyl)-N-prop-2-enylprop-2-enamide
TL;DR: (E)-2-cyano-3-(3-fluorophenyl)-N-prop-2-enylprop-2-enamide (CAS 502872-01-7) is a chemical compound with molecular formula C13H11FN2O and molecular weight 230.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-cyano-3-(3-fluorophenyl)-N-prop-2-enylprop-2-enamide
Also Known As: (E)-2-cyano-3-(3-fluorophenyl)-N-prop-2-enylprop-2-enamide, 2-cyano-3-(3-fluorophenyl)-N-(prop-2-en-1-yl)prop-2-enamide
| Molecular Formula | C13H11FN2O |
|---|---|
| Molecular Weight | 230.09 g/mol |
| LogP | 2.03488 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 230.08554 |
| Heavy Atoms | 17 |
| Complexity | 500.38608 |
Chemical Identifiers
| CAS Number | 502872-01-7 |
|---|---|
| SMILES | C=CCNC(=O)/C(=C/C1=CC(=CC=C1)F)/C#N |
Product Overview
(E)-2-cyano-3-(3-fluorophenyl)-N-prop-2-enylprop-2-enamide (CAS 502872-01-7), with molecular formula C13H11FN2O and molecular weight 230.09 g/mol. IUPAC: (E)-2-cyano-3-(3-fluorophenyl)-N-prop-2-enylprop-2-enamide.
Chemical Property Profile of (E)-2-cyano-3-(3-fluorophenyl)-N-prop-2-enylprop-2-enamide
Property Insights of (E)-2-cyano-3-(3-fluorophenyl)-N-prop-2-enylprop-2-enamide
The XLogP value of 2.03488 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-2-cyano-3-(3-fluorophenyl)-N-prop-2-enylprop-2-enamide. With a topological polar surface area (TPSA) of 52.89 Ų, (E)-2-cyano-3-(3-fluorophenyl)-N-prop-2-enylprop-2-enamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-2-cyano-3-(3-fluorophenyl)-N-prop-2-enylprop-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 (E)-2-cyano-3-(3-fluorophenyl)-N-prop-2-enylprop-2-enamide?
The CAS number of (E)-2-cyano-3-(3-fluorophenyl)-N-prop-2-enylprop-2-enamide is 502872-01-7.
What is the molecular formula of (E)-2-cyano-3-(3-fluorophenyl)-N-prop-2-enylprop-2-enamide?
The molecular formula of (E)-2-cyano-3-(3-fluorophenyl)-N-prop-2-enylprop-2-enamide is C13H11FN2O.
What is the molecular weight of (E)-2-cyano-3-(3-fluorophenyl)-N-prop-2-enylprop-2-enamide?
The molecular weight of (E)-2-cyano-3-(3-fluorophenyl)-N-prop-2-enylprop-2-enamide is 230.09 g/mol.
Where can I buy (E)-2-cyano-3-(3-fluorophenyl)-N-prop-2-enylprop-2-enamide?
You can request a quote for (E)-2-cyano-3-(3-fluorophenyl)-N-prop-2-enylprop-2-enamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-cyano-3-(3-fluorophenyl)-N-prop-2-enylprop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-cyano-3-(3-fluorophenyl)-N-prop-2-enylprop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.