3-(2-Iodophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)acrylonitrile
TL;DR: 3-(2-Iodophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)acrylonitrile (CAS 416861-26-2) is a chemical compound with molecular formula C18H11IN2S and molecular weight 413.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(2-iodophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile
Also Known As: 3-(2-iodophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)acrylonitrile, AE-848/09053049, (E)-3-(2-iodophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile, (E)-3-(2-iodophenyl)-2-(4-phenylthiazol-2-yl)acrylonitrile, (2E)-3-(2-iodophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile
| Molecular Formula | C18H11IN2S |
|---|---|
| Molecular Weight | 413.97 g/mol |
| LogP | 5.47888 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 413.96878 |
| Heavy Atoms | 22 |
| Complexity | 860.0486 |
Chemical Identifiers
| CAS Number | 416861-26-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CSC(=N2)/C(=C/C3=CC=CC=C3I)/C#N |
Product Overview
3-(2-Iodophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)acrylonitrile (CAS 416861-26-2), with molecular formula C18H11IN2S and molecular weight 413.97 g/mol. IUPAC: (E)-3-(2-iodophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile.
Chemical Property Profile of 3-(2-Iodophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)acrylonitrile
Property Insights of 3-(2-Iodophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)acrylonitrile
The XLogP value of 5.47888 indicates that 3-(2-Iodophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)acrylonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.68 Ų, 3-(2-Iodophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)acrylonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-Iodophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)acrylonitrile has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(2-Iodophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)acrylonitrile?
The CAS number of 3-(2-Iodophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)acrylonitrile is 416861-26-2.
What is the molecular formula of 3-(2-Iodophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)acrylonitrile?
The molecular formula of 3-(2-Iodophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)acrylonitrile is C18H11IN2S.
What is the molecular weight of 3-(2-Iodophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)acrylonitrile?
The molecular weight of 3-(2-Iodophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)acrylonitrile is 413.97 g/mol.
Where can I buy 3-(2-Iodophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)acrylonitrile?
You can request a quote for 3-(2-Iodophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)acrylonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Iodophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Iodophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.