![(2E)-3-(1,3-benzodioxol-5-yl)-2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile structure](/static/products/326/326915-89-3.png)
(2E)-3-(1,3-benzodioxol-5-yl)-2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
TL;DR: (2E)-3-(1,3-benzodioxol-5-yl)-2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile (CAS 326915-89-3) is a chemical compound with molecular formula C19H11BrN2O2S and molecular weight 409.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(1,3-benzodioxol-5-yl)-2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Also Known As: (2E)-3-(1,3-benzodioxol-5-yl)-2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile, (E)-3-(1,3-benzodioxol-5-yl)-2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile, (E)-3-(benzo[d][1,3]dioxol-5-yl)-2-(4-(3-bromophenyl)thiazol-2-yl)acrylonitrile, 3-benzo[1,3]dioxol-5-yl-2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
| Molecular Formula | C19H11BrN2O2S |
|---|---|
| Molecular Weight | 409.97 g/mol |
| LogP | 5.36548 |
| Topological Polar Surface Area | 55.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 409.97247 |
| Heavy Atoms | 25 |
| Complexity | 1020.2587 |
Chemical Identifiers
| CAS Number | 326915-89-3 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)/C=C(\C#N)/C3=NC(=CS3)C4=CC(=CC=C4)Br |
Product Overview
(2E)-3-(1,3-benzodioxol-5-yl)-2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile (CAS 326915-89-3), with molecular formula C19H11BrN2O2S and molecular weight 409.97 g/mol. IUPAC: (E)-3-(1,3-benzodioxol-5-yl)-2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile.
Chemical Property Profile of (2E)-3-(1,3-benzodioxol-5-yl)-2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Property Insights of (2E)-3-(1,3-benzodioxol-5-yl)-2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
The XLogP value of 5.36548 indicates that (2E)-3-(1,3-benzodioxol-5-yl)-2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.14 Ų, (2E)-3-(1,3-benzodioxol-5-yl)-2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-3-(1,3-benzodioxol-5-yl)-2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2E)-3-(1,3-benzodioxol-5-yl)-2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile?
The CAS number of (2E)-3-(1,3-benzodioxol-5-yl)-2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile is 326915-89-3.
What is the molecular formula of (2E)-3-(1,3-benzodioxol-5-yl)-2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile?
The molecular formula of (2E)-3-(1,3-benzodioxol-5-yl)-2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile is C19H11BrN2O2S.
What is the molecular weight of (2E)-3-(1,3-benzodioxol-5-yl)-2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile?
The molecular weight of (2E)-3-(1,3-benzodioxol-5-yl)-2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile is 409.97 g/mol.
Where can I buy (2E)-3-(1,3-benzodioxol-5-yl)-2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile?
You can request a quote for (2E)-3-(1,3-benzodioxol-5-yl)-2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-3-(1,3-benzodioxol-5-yl)-2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-(1,3-benzodioxol-5-yl)-2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.