(2E)-2-(1,3-benzoxazol-2-yl)-3-(pyridin-4-yl)prop-2-enenitrile
TL;DR: (2E)-2-(1,3-benzoxazol-2-yl)-3-(pyridin-4-yl)prop-2-enenitrile (CAS 587012-31-5) is a chemical compound with molecular formula C15H9N3O and molecular weight 247.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-(1,3-benzoxazol-2-yl)-3-pyridin-4-ylprop-2-enenitrile
Also Known As: (2E)-2-(1,3-benzoxazol-2-yl)-3-(pyridin-4-yl)prop-2-enenitrile, (E)-2-(benzo[d]oxazol-2-yl)-3-(pyridin-4-yl)acrylonitrile, (E)-2-(1,3-benzoxazol-2-yl)-3-pyridin-4-ylprop-2-enenitrile, (E)-2-Benzooxazol-2-yl-3-pyridin-4-yl-acrylonitrile, (2E)-2-benzoxazol-2-yl-3-(4-pyridyl)prop-2-enenitrile
| Molecular Formula | C15H9N3O |
|---|---|
| Molecular Weight | 247.07 g/mol |
| LogP | 3.28698 |
| Topological Polar Surface Area | 62.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 247.07455 |
| Heavy Atoms | 19 |
| Complexity | 748.7608 |
Chemical Identifiers
| CAS Number | 587012-31-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(O2)/C(=C/C3=CC=NC=C3)/C#N |
Product Overview
(2E)-2-(1,3-benzoxazol-2-yl)-3-(pyridin-4-yl)prop-2-enenitrile (CAS 587012-31-5), with molecular formula C15H9N3O and molecular weight 247.07 g/mol. IUPAC: (E)-2-(1,3-benzoxazol-2-yl)-3-pyridin-4-ylprop-2-enenitrile.
Chemical Property Profile of (2E)-2-(1,3-benzoxazol-2-yl)-3-(pyridin-4-yl)prop-2-enenitrile
Property Insights of (2E)-2-(1,3-benzoxazol-2-yl)-3-(pyridin-4-yl)prop-2-enenitrile
The XLogP value of 3.28698 indicates that (2E)-2-(1,3-benzoxazol-2-yl)-3-(pyridin-4-yl)prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.71 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-2-(1,3-benzoxazol-2-yl)-3-(pyridin-4-yl)prop-2-enenitrile. Following Lipinski's Rule of Five, (2E)-2-(1,3-benzoxazol-2-yl)-3-(pyridin-4-yl)prop-2-enenitrile 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 (2E)-2-(1,3-benzoxazol-2-yl)-3-(pyridin-4-yl)prop-2-enenitrile?
The CAS number of (2E)-2-(1,3-benzoxazol-2-yl)-3-(pyridin-4-yl)prop-2-enenitrile is 587012-31-5.
What is the molecular formula of (2E)-2-(1,3-benzoxazol-2-yl)-3-(pyridin-4-yl)prop-2-enenitrile?
The molecular formula of (2E)-2-(1,3-benzoxazol-2-yl)-3-(pyridin-4-yl)prop-2-enenitrile is C15H9N3O.
What is the molecular weight of (2E)-2-(1,3-benzoxazol-2-yl)-3-(pyridin-4-yl)prop-2-enenitrile?
The molecular weight of (2E)-2-(1,3-benzoxazol-2-yl)-3-(pyridin-4-yl)prop-2-enenitrile is 247.07 g/mol.
Where can I buy (2E)-2-(1,3-benzoxazol-2-yl)-3-(pyridin-4-yl)prop-2-enenitrile?
You can request a quote for (2E)-2-(1,3-benzoxazol-2-yl)-3-(pyridin-4-yl)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 (2E)-2-(1,3-benzoxazol-2-yl)-3-(pyridin-4-yl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for (2E)-2-(1,3-benzoxazol-2-yl)-3-(pyridin-4-yl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.