![(Z)-2-(1,3-benzodioxol-5-yl)-3-[3-(2-pyrimidinyloxy)phenyl]-2-propenenitrile structure](/static/products/861/861210-06-2.png)
(Z)-2-(1,3-benzodioxol-5-yl)-3-[3-(2-pyrimidinyloxy)phenyl]-2-propenenitrile
TL;DR: (Z)-2-(1,3-benzodioxol-5-yl)-3-[3-(2-pyrimidinyloxy)phenyl]-2-propenenitrile (CAS 861210-06-2) is a chemical compound with molecular formula C20H13N3O3 and molecular weight 343.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-2-(1,3-benzodioxol-5-yl)-3-(3-pyrimidin-2-yloxyphenyl)prop-2-enenitrile
Also Known As: (2Z)-2-(2H-1,3-benzodioxol-5-yl)-3-[3-(pyrimidin-2-yloxy)phenyl]prop-2-enenitrile, 2W-0271, (Z)-2-(1,3-benzodioxol-5-yl)-3-[3-(2-pyrimidinyloxy)phenyl]-2-propenenitrile, (Z)-2-(1,3-benzodioxol-5-yl)-3-(3-pyrimidin-2-yloxyphenyl)prop-2-enenitrile
| Molecular Formula | C20H13N3O3 |
|---|---|
| Molecular Weight | 343.10 g/mol |
| LogP | 4.06178 |
| Topological Polar Surface Area | 77.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 343.0957 |
| Heavy Atoms | 26 |
| Complexity | 1010.31006 |
Chemical Identifiers
| CAS Number | 861210-06-2 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)/C(=C/C3=CC(=CC=C3)OC4=NC=CC=N4)/C#N |
Product Overview
(Z)-2-(1,3-benzodioxol-5-yl)-3-[3-(2-pyrimidinyloxy)phenyl]-2-propenenitrile (CAS 861210-06-2), with molecular formula C20H13N3O3 and molecular weight 343.10 g/mol. IUPAC: (Z)-2-(1,3-benzodioxol-5-yl)-3-(3-pyrimidin-2-yloxyphenyl)prop-2-enenitrile.
Chemical Property Profile of (Z)-2-(1,3-benzodioxol-5-yl)-3-[3-(2-pyrimidinyloxy)phenyl]-2-propenenitrile
Property Insights of (Z)-2-(1,3-benzodioxol-5-yl)-3-[3-(2-pyrimidinyloxy)phenyl]-2-propenenitrile
The XLogP value of 4.06178 indicates that (Z)-2-(1,3-benzodioxol-5-yl)-3-[3-(2-pyrimidinyloxy)phenyl]-2-propenenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.26 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-2-(1,3-benzodioxol-5-yl)-3-[3-(2-pyrimidinyloxy)phenyl]-2-propenenitrile. Following Lipinski's Rule of Five, (Z)-2-(1,3-benzodioxol-5-yl)-3-[3-(2-pyrimidinyloxy)phenyl]-2-propenenitrile has 0 hydrogen bond donor(s) and 6 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 (Z)-2-(1,3-benzodioxol-5-yl)-3-[3-(2-pyrimidinyloxy)phenyl]-2-propenenitrile?
The CAS number of (Z)-2-(1,3-benzodioxol-5-yl)-3-[3-(2-pyrimidinyloxy)phenyl]-2-propenenitrile is 861210-06-2.
What is the molecular formula of (Z)-2-(1,3-benzodioxol-5-yl)-3-[3-(2-pyrimidinyloxy)phenyl]-2-propenenitrile?
The molecular formula of (Z)-2-(1,3-benzodioxol-5-yl)-3-[3-(2-pyrimidinyloxy)phenyl]-2-propenenitrile is C20H13N3O3.
What is the molecular weight of (Z)-2-(1,3-benzodioxol-5-yl)-3-[3-(2-pyrimidinyloxy)phenyl]-2-propenenitrile?
The molecular weight of (Z)-2-(1,3-benzodioxol-5-yl)-3-[3-(2-pyrimidinyloxy)phenyl]-2-propenenitrile is 343.10 g/mol.
Where can I buy (Z)-2-(1,3-benzodioxol-5-yl)-3-[3-(2-pyrimidinyloxy)phenyl]-2-propenenitrile?
You can request a quote for (Z)-2-(1,3-benzodioxol-5-yl)-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 (Z)-2-(1,3-benzodioxol-5-yl)-3-[3-(2-pyrimidinyloxy)phenyl]-2-propenenitrile?
Yes, KEHONG BIO provides custom synthesis services for (Z)-2-(1,3-benzodioxol-5-yl)-3-[3-(2-pyrimidinyloxy)phenyl]-2-propenenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.