![(E)-2-(4-chlorobenzoyl)-3-[3-(2-pyrimidinyloxy)phenyl]-2-propenenitrile structure](/static/products/861/861210-22-2.png)
(E)-2-(4-chlorobenzoyl)-3-[3-(2-pyrimidinyloxy)phenyl]-2-propenenitrile
TL;DR: (E)-2-(4-chlorobenzoyl)-3-[3-(2-pyrimidinyloxy)phenyl]-2-propenenitrile (CAS 861210-22-2) is a chemical compound with molecular formula C20H12ClN3O2 and molecular weight 361.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorobenzoyl)-3-(3-pyrimidin-2-yloxyphenyl)prop-2-enenitrile
Also Known As: (E)-2-(4-chlorobenzoyl)-3-[3-(2-pyrimidinyloxy)phenyl]-2-propenenitrile, 2-(4-chlorobenzoyl)-3-(3-pyrimidin-2-yloxyphenyl)prop-2-enenitrile
| Molecular Formula | C20H12ClN3O2 |
|---|---|
| Molecular Weight | 361.06 g/mol |
| LogP | 4.71218 |
| Topological Polar Surface Area | 75.87 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 361.0618 |
| Heavy Atoms | 26 |
| Complexity | 993.5698 |
Chemical Identifiers
| CAS Number | 861210-22-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)OC2=NC=CC=N2)C=C(C#N)C(=O)C3=CC=C(C=C3)Cl |
Product Overview
(E)-2-(4-chlorobenzoyl)-3-[3-(2-pyrimidinyloxy)phenyl]-2-propenenitrile (CAS 861210-22-2), with molecular formula C20H12ClN3O2 and molecular weight 361.06 g/mol. IUPAC: 2-(4-chlorobenzoyl)-3-(3-pyrimidin-2-yloxyphenyl)prop-2-enenitrile.
Chemical Property Profile of (E)-2-(4-chlorobenzoyl)-3-[3-(2-pyrimidinyloxy)phenyl]-2-propenenitrile
Property Insights of (E)-2-(4-chlorobenzoyl)-3-[3-(2-pyrimidinyloxy)phenyl]-2-propenenitrile
The XLogP value of 4.71218 indicates that (E)-2-(4-chlorobenzoyl)-3-[3-(2-pyrimidinyloxy)phenyl]-2-propenenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.87 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-(4-chlorobenzoyl)-3-[3-(2-pyrimidinyloxy)phenyl]-2-propenenitrile. Following Lipinski's Rule of Five, (E)-2-(4-chlorobenzoyl)-3-[3-(2-pyrimidinyloxy)phenyl]-2-propenenitrile 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 (E)-2-(4-chlorobenzoyl)-3-[3-(2-pyrimidinyloxy)phenyl]-2-propenenitrile?
The CAS number of (E)-2-(4-chlorobenzoyl)-3-[3-(2-pyrimidinyloxy)phenyl]-2-propenenitrile is 861210-22-2.
What is the molecular formula of (E)-2-(4-chlorobenzoyl)-3-[3-(2-pyrimidinyloxy)phenyl]-2-propenenitrile?
The molecular formula of (E)-2-(4-chlorobenzoyl)-3-[3-(2-pyrimidinyloxy)phenyl]-2-propenenitrile is C20H12ClN3O2.
What is the molecular weight of (E)-2-(4-chlorobenzoyl)-3-[3-(2-pyrimidinyloxy)phenyl]-2-propenenitrile?
The molecular weight of (E)-2-(4-chlorobenzoyl)-3-[3-(2-pyrimidinyloxy)phenyl]-2-propenenitrile is 361.06 g/mol.
Where can I buy (E)-2-(4-chlorobenzoyl)-3-[3-(2-pyrimidinyloxy)phenyl]-2-propenenitrile?
You can request a quote for (E)-2-(4-chlorobenzoyl)-3-[3-(2-pyrimidinyloxy)phenyl]-2-propenenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-(4-chlorobenzoyl)-3-[3-(2-pyrimidinyloxy)phenyl]-2-propenenitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-(4-chlorobenzoyl)-3-[3-(2-pyrimidinyloxy)phenyl]-2-propenenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.