(E)-2-(4-(3-bromophenyl)thiazol-2-yl)-3-((3,4-difluorophenyl)amino)acrylonitrile
TL;DR: (E)-2-(4-(3-bromophenyl)thiazol-2-yl)-3-((3,4-difluorophenyl)amino)acrylonitrile (CAS 477297-36-2) is a chemical compound with molecular formula C18H10BrF2N3S and molecular weight 416.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3-(3,4-difluoroanilino)prop-2-enenitrile
Also Known As: F0837-0379, (E)-2-(4-(3-bromophenyl)thiazol-2-yl)-3-((3,4-difluorophenyl)amino)acrylonitrile, (E)-2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3-(3,4-difluoroanilino)prop-2-enenitrile, (2E)-2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3-[(3,4-difluorophenyl)amino]prop-2-enenitrile, 2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3-[(3,4-difluorophenyl)amino]prop-2-enenitrile
| Molecular Formula | C18H10BrF2N3S |
|---|---|
| Molecular Weight | 416.97 g/mol |
| LogP | 5.82738 |
| Topological Polar Surface Area | 48.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 416.9747 |
| Heavy Atoms | 25 |
| Complexity | 991.9814 |
Chemical Identifiers
| CAS Number | 477297-36-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Br)C2=CSC(=N2)/C(=C/NC3=CC(=C(C=C3)F)F)/C#N |
Product Overview
(E)-2-(4-(3-bromophenyl)thiazol-2-yl)-3-((3,4-difluorophenyl)amino)acrylonitrile (CAS 477297-36-2), with molecular formula C18H10BrF2N3S and molecular weight 416.97 g/mol. IUPAC: (E)-2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3-(3,4-difluoroanilino)prop-2-enenitrile.
Chemical Property Profile of (E)-2-(4-(3-bromophenyl)thiazol-2-yl)-3-((3,4-difluorophenyl)amino)acrylonitrile
Property Insights of (E)-2-(4-(3-bromophenyl)thiazol-2-yl)-3-((3,4-difluorophenyl)amino)acrylonitrile
The XLogP value of 5.82738 indicates that (E)-2-(4-(3-bromophenyl)thiazol-2-yl)-3-((3,4-difluorophenyl)amino)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)-2-(4-(3-bromophenyl)thiazol-2-yl)-3-((3,4-difluorophenyl)amino)acrylonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-2-(4-(3-bromophenyl)thiazol-2-yl)-3-((3,4-difluorophenyl)amino)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)-2-(4-(3-bromophenyl)thiazol-2-yl)-3-((3,4-difluorophenyl)amino)acrylonitrile?
The CAS number of (E)-2-(4-(3-bromophenyl)thiazol-2-yl)-3-((3,4-difluorophenyl)amino)acrylonitrile is 477297-36-2.
What is the molecular formula of (E)-2-(4-(3-bromophenyl)thiazol-2-yl)-3-((3,4-difluorophenyl)amino)acrylonitrile?
The molecular formula of (E)-2-(4-(3-bromophenyl)thiazol-2-yl)-3-((3,4-difluorophenyl)amino)acrylonitrile is C18H10BrF2N3S.
What is the molecular weight of (E)-2-(4-(3-bromophenyl)thiazol-2-yl)-3-((3,4-difluorophenyl)amino)acrylonitrile?
The molecular weight of (E)-2-(4-(3-bromophenyl)thiazol-2-yl)-3-((3,4-difluorophenyl)amino)acrylonitrile is 416.97 g/mol.
Where can I buy (E)-2-(4-(3-bromophenyl)thiazol-2-yl)-3-((3,4-difluorophenyl)amino)acrylonitrile?
You can request a quote for (E)-2-(4-(3-bromophenyl)thiazol-2-yl)-3-((3,4-difluorophenyl)amino)acrylonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-(4-(3-bromophenyl)thiazol-2-yl)-3-((3,4-difluorophenyl)amino)acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-(4-(3-bromophenyl)thiazol-2-yl)-3-((3,4-difluorophenyl)amino)acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.