3-(4-Fluoroanilino)-2-(3-thienyl)acrylonitrile
TL;DR: 3-(4-Fluoroanilino)-2-(3-thienyl)acrylonitrile (CAS 477851-22-2) is a chemical compound with molecular formula C13H9FN2S and molecular weight 244.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-3-(4-fluoroanilino)-2-thiophen-3-ylprop-2-enenitrile
Also Known As: 3-(4-fluoroanilino)-2-(3-thienyl)acrylonitrile, (2Z)-3-[(4-fluorophenyl)amino]-2-(thiophen-3-yl)prop-2-enenitrile, (Z)-3-(4-fluoroanilino)-2-thiophen-3-ylprop-2-enenitrile, 11B-124, (Z)-3-(4-fluoroanilino)-2-(3-thienyl)prop-2-enenitrile
| Molecular Formula | C13H9FN2S |
|---|---|
| Molecular Weight | 244.05 g/mol |
| LogP | 3.86378 |
| Topological Polar Surface Area | 35.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 244.04704 |
| Heavy Atoms | 17 |
| Complexity | 550.10547 |
Chemical Identifiers
| CAS Number | 477851-22-2 |
|---|---|
| SMILES | C1=CC(=CC=C1N/C=C(\C#N)/C2=CSC=C2)F |
Product Overview
3-(4-Fluoroanilino)-2-(3-thienyl)acrylonitrile (CAS 477851-22-2), with molecular formula C13H9FN2S and molecular weight 244.05 g/mol. IUPAC: (Z)-3-(4-fluoroanilino)-2-thiophen-3-ylprop-2-enenitrile.
Chemical Property Profile of 3-(4-Fluoroanilino)-2-(3-thienyl)acrylonitrile
Property Insights of 3-(4-Fluoroanilino)-2-(3-thienyl)acrylonitrile
The XLogP value of 3.86378 indicates that 3-(4-Fluoroanilino)-2-(3-thienyl)acrylonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.82 Ų, 3-(4-Fluoroanilino)-2-(3-thienyl)acrylonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Fluoroanilino)-2-(3-thienyl)acrylonitrile 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 3-(4-Fluoroanilino)-2-(3-thienyl)acrylonitrile?
The CAS number of 3-(4-Fluoroanilino)-2-(3-thienyl)acrylonitrile is 477851-22-2.
What is the molecular formula of 3-(4-Fluoroanilino)-2-(3-thienyl)acrylonitrile?
The molecular formula of 3-(4-Fluoroanilino)-2-(3-thienyl)acrylonitrile is C13H9FN2S.
What is the molecular weight of 3-(4-Fluoroanilino)-2-(3-thienyl)acrylonitrile?
The molecular weight of 3-(4-Fluoroanilino)-2-(3-thienyl)acrylonitrile is 244.05 g/mol.
Where can I buy 3-(4-Fluoroanilino)-2-(3-thienyl)acrylonitrile?
You can request a quote for 3-(4-Fluoroanilino)-2-(3-thienyl)acrylonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Fluoroanilino)-2-(3-thienyl)acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Fluoroanilino)-2-(3-thienyl)acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.