3-(3-Pyrimidin-2-yloxyphenyl)-2-thiophen-2-ylprop-2-enenitrile
TL;DR: 3-(3-Pyrimidin-2-yloxyphenyl)-2-thiophen-2-ylprop-2-enenitrile (CAS 861210-11-9) is a chemical compound with molecular formula C17H11N3OS and molecular weight 305.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-pyrimidin-2-yloxyphenyl)-2-thiophen-2-ylprop-2-enenitrile
Also Known As: (E)-3-[3-(2-pyrimidinyloxy)phenyl]-2-(2-thienyl)-2-propenenitrile, 3-(3-pyrimidin-2-yloxyphenyl)-2-thiophen-2-ylprop-2-enenitrile
| Molecular Formula | C17H11N3OS |
|---|---|
| Molecular Weight | 305.06 g/mol |
| LogP | 4.39458 |
| Topological Polar Surface Area | 58.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 305.0623 |
| Heavy Atoms | 22 |
| Complexity | 820.6202 |
Chemical Identifiers
| CAS Number | 861210-11-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)OC2=NC=CC=N2)C=C(C#N)C3=CC=CS3 |
Product Overview
3-(3-Pyrimidin-2-yloxyphenyl)-2-thiophen-2-ylprop-2-enenitrile (CAS 861210-11-9), with molecular formula C17H11N3OS and molecular weight 305.06 g/mol. IUPAC: 3-(3-pyrimidin-2-yloxyphenyl)-2-thiophen-2-ylprop-2-enenitrile.
Chemical Property Profile of 3-(3-Pyrimidin-2-yloxyphenyl)-2-thiophen-2-ylprop-2-enenitrile
Property Insights of 3-(3-Pyrimidin-2-yloxyphenyl)-2-thiophen-2-ylprop-2-enenitrile
The XLogP value of 4.39458 indicates that 3-(3-Pyrimidin-2-yloxyphenyl)-2-thiophen-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 58.8 Ų, 3-(3-Pyrimidin-2-yloxyphenyl)-2-thiophen-2-ylprop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-Pyrimidin-2-yloxyphenyl)-2-thiophen-2-ylprop-2-enenitrile has 0 hydrogen bond donor(s) and 5 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 3-(3-Pyrimidin-2-yloxyphenyl)-2-thiophen-2-ylprop-2-enenitrile?
The CAS number of 3-(3-Pyrimidin-2-yloxyphenyl)-2-thiophen-2-ylprop-2-enenitrile is 861210-11-9.
What is the molecular formula of 3-(3-Pyrimidin-2-yloxyphenyl)-2-thiophen-2-ylprop-2-enenitrile?
The molecular formula of 3-(3-Pyrimidin-2-yloxyphenyl)-2-thiophen-2-ylprop-2-enenitrile is C17H11N3OS.
What is the molecular weight of 3-(3-Pyrimidin-2-yloxyphenyl)-2-thiophen-2-ylprop-2-enenitrile?
The molecular weight of 3-(3-Pyrimidin-2-yloxyphenyl)-2-thiophen-2-ylprop-2-enenitrile is 305.06 g/mol.
Where can I buy 3-(3-Pyrimidin-2-yloxyphenyl)-2-thiophen-2-ylprop-2-enenitrile?
You can request a quote for 3-(3-Pyrimidin-2-yloxyphenyl)-2-thiophen-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 3-(3-Pyrimidin-2-yloxyphenyl)-2-thiophen-2-ylprop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Pyrimidin-2-yloxyphenyl)-2-thiophen-2-ylprop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.