![(E)-2-(1,3-benzothiazol-2-yl)-3-[4-(diethylamino)phenyl]prop-2-enenitrile structure](/static/products/1022/102238-77-7.webp)
(E)-2-(1,3-benzothiazol-2-yl)-3-[4-(diethylamino)phenyl]prop-2-enenitrile
TL;DR: (E)-2-(1,3-benzothiazol-2-yl)-3-[4-(diethylamino)phenyl]prop-2-enenitrile (CAS 102238-77-7) is a chemical compound with molecular formula C20H19N3S and molecular weight 333.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-(1,3-benzothiazol-2-yl)-3-[4-(diethylamino)phenyl]prop-2-enenitrile
Also Known As: (E)-2-(1,3-benzothiazol-2-yl)-3-[4-(diethylamino)phenyl]prop-2-enenitrile, (2E)-2-(1,3-benzothiazol-2-yl)-3-[4-(diethylamino)phenyl]prop-2-enenitrile, (2E)-2-benzothiazol-2-yl-3-[4-(diethylamino)phenyl]prop-2-enenitrile, (E)-2-(1,3-benzothiazol-2-yl)-3-[p-(diethylamino)phenyl]acrylonitrile, (E)-2-(benzo[d]thiazol-2-yl)-3-(4-(diethylamino)phenyl)acrylonitrile
| Molecular Formula | C20H19N3S |
|---|---|
| Molecular Weight | 333.13 g/mol |
| LogP | 5.20668 |
| Topological Polar Surface Area | 39.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 333.12997 |
| Heavy Atoms | 24 |
| Complexity | 863.5287 |
Chemical Identifiers
| CAS Number | 102238-77-7 |
|---|---|
| SMILES | CCN(CC)C1=CC=C(C=C1)/C=C(\C#N)/C2=NC3=CC=CC=C3S2 |
Product Overview
(E)-2-(1,3-benzothiazol-2-yl)-3-[4-(diethylamino)phenyl]prop-2-enenitrile (CAS 102238-77-7), with molecular formula C20H19N3S and molecular weight 333.13 g/mol. IUPAC: (E)-2-(1,3-benzothiazol-2-yl)-3-[4-(diethylamino)phenyl]prop-2-enenitrile.
Chemical Property Profile of (E)-2-(1,3-benzothiazol-2-yl)-3-[4-(diethylamino)phenyl]prop-2-enenitrile
Property Insights of (E)-2-(1,3-benzothiazol-2-yl)-3-[4-(diethylamino)phenyl]prop-2-enenitrile
The XLogP value of 5.20668 indicates that (E)-2-(1,3-benzothiazol-2-yl)-3-[4-(diethylamino)phenyl]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, (E)-2-(1,3-benzothiazol-2-yl)-3-[4-(diethylamino)phenyl]prop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-2-(1,3-benzothiazol-2-yl)-3-[4-(diethylamino)phenyl]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 (E)-2-(1,3-benzothiazol-2-yl)-3-[4-(diethylamino)phenyl]prop-2-enenitrile?
The CAS number of (E)-2-(1,3-benzothiazol-2-yl)-3-[4-(diethylamino)phenyl]prop-2-enenitrile is 102238-77-7.
What is the molecular formula of (E)-2-(1,3-benzothiazol-2-yl)-3-[4-(diethylamino)phenyl]prop-2-enenitrile?
The molecular formula of (E)-2-(1,3-benzothiazol-2-yl)-3-[4-(diethylamino)phenyl]prop-2-enenitrile is C20H19N3S.
What is the molecular weight of (E)-2-(1,3-benzothiazol-2-yl)-3-[4-(diethylamino)phenyl]prop-2-enenitrile?
The molecular weight of (E)-2-(1,3-benzothiazol-2-yl)-3-[4-(diethylamino)phenyl]prop-2-enenitrile is 333.13 g/mol.
Where can I buy (E)-2-(1,3-benzothiazol-2-yl)-3-[4-(diethylamino)phenyl]prop-2-enenitrile?
You can request a quote for (E)-2-(1,3-benzothiazol-2-yl)-3-[4-(diethylamino)phenyl]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 (E)-2-(1,3-benzothiazol-2-yl)-3-[4-(diethylamino)phenyl]prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-(1,3-benzothiazol-2-yl)-3-[4-(diethylamino)phenyl]prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.