(E)-2-(1-benzothiophen-3-yl)-3-pyridin-2-ylprop-2-enenitrile
TL;DR: (E)-2-(1-benzothiophen-3-yl)-3-pyridin-2-ylprop-2-enenitrile (CAS 59237-13-7) is a chemical compound with molecular formula C16H10N2S and molecular weight 262.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-(1-benzothiophen-3-yl)-3-pyridin-2-ylprop-2-enenitrile
Also Known As: (E)-2-(1-benzothiophen-3-yl)-3-pyridin-2-ylprop-2-enenitrile, (2E)-2-(1-Benzothiophen-3-yl)-3-(pyridin-2-yl)prop-2-enenitrile
| Molecular Formula | C16H10N2S |
|---|---|
| Molecular Weight | 262.06 g/mol |
| LogP | 4.36048 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 262.05646 |
| Heavy Atoms | 19 |
| Complexity | 779.1191 |
Chemical Identifiers
| CAS Number | 59237-13-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CS2)/C(=C\C3=CC=CC=N3)/C#N |
Product Overview
(E)-2-(1-benzothiophen-3-yl)-3-pyridin-2-ylprop-2-enenitrile (CAS 59237-13-7), with molecular formula C16H10N2S and molecular weight 262.06 g/mol. IUPAC: (E)-2-(1-benzothiophen-3-yl)-3-pyridin-2-ylprop-2-enenitrile.
Chemical Property Profile of (E)-2-(1-benzothiophen-3-yl)-3-pyridin-2-ylprop-2-enenitrile
Property Insights of (E)-2-(1-benzothiophen-3-yl)-3-pyridin-2-ylprop-2-enenitrile
The XLogP value of 4.36048 indicates that (E)-2-(1-benzothiophen-3-yl)-3-pyridin-2-ylprop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.68 Ų, (E)-2-(1-benzothiophen-3-yl)-3-pyridin-2-ylprop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-2-(1-benzothiophen-3-yl)-3-pyridin-2-ylprop-2-enenitrile has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-2-(1-benzothiophen-3-yl)-3-pyridin-2-ylprop-2-enenitrile?
The CAS number of (E)-2-(1-benzothiophen-3-yl)-3-pyridin-2-ylprop-2-enenitrile is 59237-13-7.
What is the molecular formula of (E)-2-(1-benzothiophen-3-yl)-3-pyridin-2-ylprop-2-enenitrile?
The molecular formula of (E)-2-(1-benzothiophen-3-yl)-3-pyridin-2-ylprop-2-enenitrile is C16H10N2S.
What is the molecular weight of (E)-2-(1-benzothiophen-3-yl)-3-pyridin-2-ylprop-2-enenitrile?
The molecular weight of (E)-2-(1-benzothiophen-3-yl)-3-pyridin-2-ylprop-2-enenitrile is 262.06 g/mol.
Where can I buy (E)-2-(1-benzothiophen-3-yl)-3-pyridin-2-ylprop-2-enenitrile?
You can request a quote for (E)-2-(1-benzothiophen-3-yl)-3-pyridin-2-ylprop-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-benzothiophen-3-yl)-3-pyridin-2-ylprop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-(1-benzothiophen-3-yl)-3-pyridin-2-ylprop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.