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Benzo[b]thiophene-3-acetonitrile, alpha-(4-pyridinylmethylene)-
TL;DR: Benzo[b]thiophene-3-acetonitrile, alpha-(4-pyridinylmethylene)- (CAS 59237-05-7) 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.
(Z)-2-(1-benzothiophen-3-yl)-3-pyridin-4-ylprop-2-enenitrile
Also Known As: (Z)-2-(1-benzothiophen-3-yl)-3-pyridin-4-ylprop-2-enenitrile, (2Z)-2-(1-Benzothiophen-3-yl)-3-(pyridin-4-yl)prop-2-enenitrile, Benzo[b]thiophene-3-acetonitrile, .alpha.-(4-pyridinylmethylene)-, Benzo[b]thiophene-3-acetonitrile, alpha-(4-pyridinylmethylene)-
| 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 | 59237-05-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CS2)/C(=C/C3=CC=NC=C3)/C#N |
Product Overview
Benzo[b]thiophene-3-acetonitrile, alpha-(4-pyridinylmethylene)- (CAS 59237-05-7), with molecular formula C16H10N2S and molecular weight 262.06 g/mol. IUPAC: (Z)-2-(1-benzothiophen-3-yl)-3-pyridin-4-ylprop-2-enenitrile.
Chemical Property Profile of Benzo[b]thiophene-3-acetonitrile, alpha-(4-pyridinylmethylene)-
Property Insights of Benzo[b]thiophene-3-acetonitrile, alpha-(4-pyridinylmethylene)-
The XLogP value of 4.36048 indicates that Benzo[b]thiophene-3-acetonitrile, alpha-(4-pyridinylmethylene)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.68 Ų, Benzo[b]thiophene-3-acetonitrile, alpha-(4-pyridinylmethylene)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo[b]thiophene-3-acetonitrile, alpha-(4-pyridinylmethylene)- 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 Benzo[b]thiophene-3-acetonitrile, alpha-(4-pyridinylmethylene)-?
The CAS number of Benzo[b]thiophene-3-acetonitrile, alpha-(4-pyridinylmethylene)- is 59237-05-7.
What is the molecular formula of Benzo[b]thiophene-3-acetonitrile, alpha-(4-pyridinylmethylene)-?
The molecular formula of Benzo[b]thiophene-3-acetonitrile, alpha-(4-pyridinylmethylene)- is C16H10N2S.
What is the molecular weight of Benzo[b]thiophene-3-acetonitrile, alpha-(4-pyridinylmethylene)-?
The molecular weight of Benzo[b]thiophene-3-acetonitrile, alpha-(4-pyridinylmethylene)- is 262.06 g/mol.
Where can I buy Benzo[b]thiophene-3-acetonitrile, alpha-(4-pyridinylmethylene)-?
You can request a quote for Benzo[b]thiophene-3-acetonitrile, alpha-(4-pyridinylmethylene)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzo[b]thiophene-3-acetonitrile, alpha-(4-pyridinylmethylene)-?
Yes, KEHONG BIO provides custom synthesis services for Benzo[b]thiophene-3-acetonitrile, alpha-(4-pyridinylmethylene)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.