(E)-3-((4-bromo-2-fluorophenyl)amino)-2-(4-(4-isobutylphenyl)thiazol-2-yl)acrylonitrile
TL;DR: (E)-3-((4-bromo-2-fluorophenyl)amino)-2-(4-(4-isobutylphenyl)thiazol-2-yl)acrylonitrile (CAS 477298-65-0) is a chemical compound with molecular formula C22H19BrFN3S and molecular weight 455.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(4-bromo-2-fluoroanilino)-2-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]prop-2-enenitrile
Also Known As: (E)-3-((4-bromo-2-fluorophenyl)amino)-2-(4-(4-isobutylphenyl)thiazol-2-yl)acrylonitrile, (2E)-3-[(4-bromo-2-fluorophenyl)amino]-2-{4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl}prop-2-enenitrile, (E)-3-(4-bromo-2-fluoroanilino)-2-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]prop-2-enenitrile
| Molecular Formula | C22H19BrFN3S |
|---|---|
| Molecular Weight | 455.05 g/mol |
| LogP | 6.88678 |
| Topological Polar Surface Area | 48.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 455.04672 |
| Heavy Atoms | 28 |
| Complexity | 1032.6805 |
Chemical Identifiers
| CAS Number | 477298-65-0 |
|---|---|
| SMILES | CC(C)CC1=CC=C(C=C1)C2=CSC(=N2)/C(=C/NC3=C(C=C(C=C3)Br)F)/C#N |
Product Overview
(E)-3-((4-bromo-2-fluorophenyl)amino)-2-(4-(4-isobutylphenyl)thiazol-2-yl)acrylonitrile (CAS 477298-65-0), with molecular formula C22H19BrFN3S and molecular weight 455.05 g/mol. IUPAC: (E)-3-(4-bromo-2-fluoroanilino)-2-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]prop-2-enenitrile.
Chemical Property Profile of (E)-3-((4-bromo-2-fluorophenyl)amino)-2-(4-(4-isobutylphenyl)thiazol-2-yl)acrylonitrile
Property Insights of (E)-3-((4-bromo-2-fluorophenyl)amino)-2-(4-(4-isobutylphenyl)thiazol-2-yl)acrylonitrile
The XLogP value of 6.88678 indicates that (E)-3-((4-bromo-2-fluorophenyl)amino)-2-(4-(4-isobutylphenyl)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 48.71 Ų, (E)-3-((4-bromo-2-fluorophenyl)amino)-2-(4-(4-isobutylphenyl)thiazol-2-yl)acrylonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-3-((4-bromo-2-fluorophenyl)amino)-2-(4-(4-isobutylphenyl)thiazol-2-yl)acrylonitrile has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-3-((4-bromo-2-fluorophenyl)amino)-2-(4-(4-isobutylphenyl)thiazol-2-yl)acrylonitrile?
The CAS number of (E)-3-((4-bromo-2-fluorophenyl)amino)-2-(4-(4-isobutylphenyl)thiazol-2-yl)acrylonitrile is 477298-65-0.
What is the molecular formula of (E)-3-((4-bromo-2-fluorophenyl)amino)-2-(4-(4-isobutylphenyl)thiazol-2-yl)acrylonitrile?
The molecular formula of (E)-3-((4-bromo-2-fluorophenyl)amino)-2-(4-(4-isobutylphenyl)thiazol-2-yl)acrylonitrile is C22H19BrFN3S.
What is the molecular weight of (E)-3-((4-bromo-2-fluorophenyl)amino)-2-(4-(4-isobutylphenyl)thiazol-2-yl)acrylonitrile?
The molecular weight of (E)-3-((4-bromo-2-fluorophenyl)amino)-2-(4-(4-isobutylphenyl)thiazol-2-yl)acrylonitrile is 455.05 g/mol.
Where can I buy (E)-3-((4-bromo-2-fluorophenyl)amino)-2-(4-(4-isobutylphenyl)thiazol-2-yl)acrylonitrile?
You can request a quote for (E)-3-((4-bromo-2-fluorophenyl)amino)-2-(4-(4-isobutylphenyl)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 (E)-3-((4-bromo-2-fluorophenyl)amino)-2-(4-(4-isobutylphenyl)thiazol-2-yl)acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-((4-bromo-2-fluorophenyl)amino)-2-(4-(4-isobutylphenyl)thiazol-2-yl)acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.