5-Acetyl-I+/--(4-pyridinylmethylene)-2-thiopheneacetonitrile
TL;DR: 5-Acetyl-I+/--(4-pyridinylmethylene)-2-thiopheneacetonitrile (CAS 478261-05-1) is a chemical compound with molecular formula C14H10N2OS and molecular weight 254.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-acetylthiophen-2-yl)-3-pyridin-4-ylprop-2-enenitrile
Also Known As: 2-(5-acetyl-2-thienyl)-3-(4-pyridinyl)acrylonitrile, 2-(5-acetylthiophen-2-yl)-3-pyridin-4-ylprop-2-enenitrile, 5-Acetyl-I+/--(4-pyridinylmethylene)-2-thiopheneacetonitrile, 2-(5-ACETYLTHIOPHEN-2-YL)-3-(PYRIDIN-4-YL)PROP-2-ENENITRILE
| Molecular Formula | C14H10N2OS |
|---|---|
| Molecular Weight | 254.05 g/mol |
| LogP | 3.40988 |
| Topological Polar Surface Area | 53.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 254.05139 |
| Heavy Atoms | 18 |
| Complexity | 635.31366 |
Chemical Identifiers
| CAS Number | 478261-05-1 |
|---|---|
| SMILES | CC(=O)C1=CC=C(S1)C(=CC2=CC=NC=C2)C#N |
Product Overview
5-Acetyl-I+/--(4-pyridinylmethylene)-2-thiopheneacetonitrile (CAS 478261-05-1), with molecular formula C14H10N2OS and molecular weight 254.05 g/mol. IUPAC: 2-(5-acetylthiophen-2-yl)-3-pyridin-4-ylprop-2-enenitrile.
Chemical Property Profile of 5-Acetyl-I+/--(4-pyridinylmethylene)-2-thiopheneacetonitrile
Property Insights of 5-Acetyl-I+/--(4-pyridinylmethylene)-2-thiopheneacetonitrile
The XLogP value of 3.40988 indicates that 5-Acetyl-I+/--(4-pyridinylmethylene)-2-thiopheneacetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.75 Ų, 5-Acetyl-I+/--(4-pyridinylmethylene)-2-thiopheneacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Acetyl-I+/--(4-pyridinylmethylene)-2-thiopheneacetonitrile has 0 hydrogen bond donor(s) and 4 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 5-Acetyl-I+/--(4-pyridinylmethylene)-2-thiopheneacetonitrile?
The CAS number of 5-Acetyl-I+/--(4-pyridinylmethylene)-2-thiopheneacetonitrile is 478261-05-1.
What is the molecular formula of 5-Acetyl-I+/--(4-pyridinylmethylene)-2-thiopheneacetonitrile?
The molecular formula of 5-Acetyl-I+/--(4-pyridinylmethylene)-2-thiopheneacetonitrile is C14H10N2OS.
What is the molecular weight of 5-Acetyl-I+/--(4-pyridinylmethylene)-2-thiopheneacetonitrile?
The molecular weight of 5-Acetyl-I+/--(4-pyridinylmethylene)-2-thiopheneacetonitrile is 254.05 g/mol.
Where can I buy 5-Acetyl-I+/--(4-pyridinylmethylene)-2-thiopheneacetonitrile?
You can request a quote for 5-Acetyl-I+/--(4-pyridinylmethylene)-2-thiopheneacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Acetyl-I+/--(4-pyridinylmethylene)-2-thiopheneacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-Acetyl-I+/--(4-pyridinylmethylene)-2-thiopheneacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.