![(2Z)-2-benzothiazol-2-yl-3-[4-(dimethylamino)-3-bromophenyl]prop-2-enenitrile structure](/static/products/328/328968-59-8.png)
(2Z)-2-benzothiazol-2-yl-3-[4-(dimethylamino)-3-bromophenyl]prop-2-enenitrile
TL;DR: (2Z)-2-benzothiazol-2-yl-3-[4-(dimethylamino)-3-bromophenyl]prop-2-enenitrile (CAS 328968-59-8) is a chemical compound with molecular formula C18H14BrN3S and molecular weight 383.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-2-(1,3-benzothiazol-2-yl)-3-[3-bromo-4-(dimethylamino)phenyl]prop-2-enenitrile
Also Known As: (2Z)-2-(1,3-benzothiazol-2-yl)-3-[3-bromo-4-(dimethylamino)phenyl]prop-2-enenitrile, (2Z)-2-benzothiazol-2-yl-3-[4-(dimethylamino)-3-bromophenyl]prop-2-enenitrile, (Z)-2-(1,3-benzothiazol-2-yl)-3-[3-bromo-4-(dimethylamino)phenyl]prop-2-enenitrile, (Z)-2-(benzo[d]thiazol-2-yl)-3-(3-bromo-4-(dimethylamino)phenyl)acrylonitrile
| Molecular Formula | C18H14BrN3S |
|---|---|
| Molecular Weight | 383.01 g/mol |
| LogP | 5.18898 |
| Topological Polar Surface Area | 39.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 383.0092 |
| Heavy Atoms | 23 |
| Complexity | 901.83484 |
Chemical Identifiers
| CAS Number | 328968-59-8 |
|---|---|
| SMILES | CN(C)C1=C(C=C(C=C1)/C=C(/C#N)\C2=NC3=CC=CC=C3S2)Br |
Product Overview
(2Z)-2-benzothiazol-2-yl-3-[4-(dimethylamino)-3-bromophenyl]prop-2-enenitrile (CAS 328968-59-8), with molecular formula C18H14BrN3S and molecular weight 383.01 g/mol. IUPAC: (Z)-2-(1,3-benzothiazol-2-yl)-3-[3-bromo-4-(dimethylamino)phenyl]prop-2-enenitrile.
Chemical Property Profile of (2Z)-2-benzothiazol-2-yl-3-[4-(dimethylamino)-3-bromophenyl]prop-2-enenitrile
Property Insights of (2Z)-2-benzothiazol-2-yl-3-[4-(dimethylamino)-3-bromophenyl]prop-2-enenitrile
The XLogP value of 5.18898 indicates that (2Z)-2-benzothiazol-2-yl-3-[4-(dimethylamino)-3-bromophenyl]prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.92 Ų, (2Z)-2-benzothiazol-2-yl-3-[4-(dimethylamino)-3-bromophenyl]prop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2Z)-2-benzothiazol-2-yl-3-[4-(dimethylamino)-3-bromophenyl]prop-2-enenitrile has 0 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 (2Z)-2-benzothiazol-2-yl-3-[4-(dimethylamino)-3-bromophenyl]prop-2-enenitrile?
The CAS number of (2Z)-2-benzothiazol-2-yl-3-[4-(dimethylamino)-3-bromophenyl]prop-2-enenitrile is 328968-59-8.
What is the molecular formula of (2Z)-2-benzothiazol-2-yl-3-[4-(dimethylamino)-3-bromophenyl]prop-2-enenitrile?
The molecular formula of (2Z)-2-benzothiazol-2-yl-3-[4-(dimethylamino)-3-bromophenyl]prop-2-enenitrile is C18H14BrN3S.
What is the molecular weight of (2Z)-2-benzothiazol-2-yl-3-[4-(dimethylamino)-3-bromophenyl]prop-2-enenitrile?
The molecular weight of (2Z)-2-benzothiazol-2-yl-3-[4-(dimethylamino)-3-bromophenyl]prop-2-enenitrile is 383.01 g/mol.
Where can I buy (2Z)-2-benzothiazol-2-yl-3-[4-(dimethylamino)-3-bromophenyl]prop-2-enenitrile?
You can request a quote for (2Z)-2-benzothiazol-2-yl-3-[4-(dimethylamino)-3-bromophenyl]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 (2Z)-2-benzothiazol-2-yl-3-[4-(dimethylamino)-3-bromophenyl]prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for (2Z)-2-benzothiazol-2-yl-3-[4-(dimethylamino)-3-bromophenyl]prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.