(E)-2-cyano-3-(3-methylthiophen-2-yl)-N-prop-2-enylprop-2-enamide
TL;DR: (E)-2-cyano-3-(3-methylthiophen-2-yl)-N-prop-2-enylprop-2-enamide (CAS 452322-20-2) is a chemical compound with molecular formula C12H12N2OS and molecular weight 232.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-cyano-3-(3-methylthiophen-2-yl)-N-prop-2-enylprop-2-enamide
Also Known As: (E)-2-cyano-3-(3-methylthiophen-2-yl)-N-prop-2-enylprop-2-enamide, 2-cyano-3-(3-methylthiophen-2-yl)-N-(prop-2-en-1-yl)prop-2-enamide
| Molecular Formula | C12H12N2OS |
|---|---|
| Molecular Weight | 232.07 g/mol |
| LogP | 2.2657 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 232.06703 |
| Heavy Atoms | 16 |
| Complexity | 465.60846 |
Chemical Identifiers
| CAS Number | 452322-20-2 |
|---|---|
| SMILES | CC1=C(SC=C1)/C=C(\C#N)/C(=O)NCC=C |
Product Overview
(E)-2-cyano-3-(3-methylthiophen-2-yl)-N-prop-2-enylprop-2-enamide (CAS 452322-20-2), with molecular formula C12H12N2OS and molecular weight 232.07 g/mol. IUPAC: (E)-2-cyano-3-(3-methylthiophen-2-yl)-N-prop-2-enylprop-2-enamide.
Chemical Property Profile of (E)-2-cyano-3-(3-methylthiophen-2-yl)-N-prop-2-enylprop-2-enamide
Property Insights of (E)-2-cyano-3-(3-methylthiophen-2-yl)-N-prop-2-enylprop-2-enamide
The XLogP value of 2.2657 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-2-cyano-3-(3-methylthiophen-2-yl)-N-prop-2-enylprop-2-enamide. With a topological polar surface area (TPSA) of 52.89 Ų, (E)-2-cyano-3-(3-methylthiophen-2-yl)-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-methylthiophen-2-yl)-N-prop-2-enylprop-2-enamide 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 (E)-2-cyano-3-(3-methylthiophen-2-yl)-N-prop-2-enylprop-2-enamide?
The CAS number of (E)-2-cyano-3-(3-methylthiophen-2-yl)-N-prop-2-enylprop-2-enamide is 452322-20-2.
What is the molecular formula of (E)-2-cyano-3-(3-methylthiophen-2-yl)-N-prop-2-enylprop-2-enamide?
The molecular formula of (E)-2-cyano-3-(3-methylthiophen-2-yl)-N-prop-2-enylprop-2-enamide is C12H12N2OS.
What is the molecular weight of (E)-2-cyano-3-(3-methylthiophen-2-yl)-N-prop-2-enylprop-2-enamide?
The molecular weight of (E)-2-cyano-3-(3-methylthiophen-2-yl)-N-prop-2-enylprop-2-enamide is 232.07 g/mol.
Where can I buy (E)-2-cyano-3-(3-methylthiophen-2-yl)-N-prop-2-enylprop-2-enamide?
You can request a quote for (E)-2-cyano-3-(3-methylthiophen-2-yl)-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-methylthiophen-2-yl)-N-prop-2-enylprop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-cyano-3-(3-methylthiophen-2-yl)-N-prop-2-enylprop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.