![2-[(4-Methylphenyl)sulfonyl]-3-[3-(2-pyrimidinyloxy)phenyl]-2-propenenitrile structure](/static/products/861/861210-23-3.png)
2-[(4-Methylphenyl)sulfonyl]-3-[3-(2-pyrimidinyloxy)phenyl]-2-propenenitrile
TL;DR: 2-[(4-Methylphenyl)sulfonyl]-3-[3-(2-pyrimidinyloxy)phenyl]-2-propenenitrile (CAS 861210-23-3) is a chemical compound with molecular formula C20H15N3O3S and molecular weight 377.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylphenyl)sulfonyl-3-(3-pyrimidin-2-yloxyphenyl)prop-2-enenitrile
Also Known As: (E)-2-[(4-methylphenyl)sulfonyl]-3-[3-(2-pyrimidinyloxy)phenyl]-2-propenenitrile, 2-(4-methylphenyl)sulfonyl-3-(3-pyrimidin-2-yloxyphenyl)prop-2-enenitrile, 2-(4-Methylbenzene-1-sulfonyl)-3-{3-[(pyrimidin-2-yl)oxy]phenyl}prop-2-enenitrile, 2-[(4-Methylphenyl)sulfonyl]-3-[3-(2-pyrimidinyloxy)phenyl]-2-propenenitrile
| Molecular Formula | C20H15N3O3S |
|---|---|
| Molecular Weight | 377.08 g/mol |
| LogP | 3.9157 |
| Topological Polar Surface Area | 92.94 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 377.0834 |
| Heavy Atoms | 27 |
| Complexity | 1117.1384 |
Chemical Identifiers
| CAS Number | 861210-23-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)C(=CC2=CC(=CC=C2)OC3=NC=CC=N3)C#N |
Product Overview
2-[(4-Methylphenyl)sulfonyl]-3-[3-(2-pyrimidinyloxy)phenyl]-2-propenenitrile (CAS 861210-23-3), with molecular formula C20H15N3O3S and molecular weight 377.08 g/mol. IUPAC: 2-(4-methylphenyl)sulfonyl-3-(3-pyrimidin-2-yloxyphenyl)prop-2-enenitrile.
Chemical Property Profile of 2-[(4-Methylphenyl)sulfonyl]-3-[3-(2-pyrimidinyloxy)phenyl]-2-propenenitrile
Property Insights of 2-[(4-Methylphenyl)sulfonyl]-3-[3-(2-pyrimidinyloxy)phenyl]-2-propenenitrile
The XLogP value of 3.9157 indicates that 2-[(4-Methylphenyl)sulfonyl]-3-[3-(2-pyrimidinyloxy)phenyl]-2-propenenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.94 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4-Methylphenyl)sulfonyl]-3-[3-(2-pyrimidinyloxy)phenyl]-2-propenenitrile. Following Lipinski's Rule of Five, 2-[(4-Methylphenyl)sulfonyl]-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 2-[(4-Methylphenyl)sulfonyl]-3-[3-(2-pyrimidinyloxy)phenyl]-2-propenenitrile?
The CAS number of 2-[(4-Methylphenyl)sulfonyl]-3-[3-(2-pyrimidinyloxy)phenyl]-2-propenenitrile is 861210-23-3.
What is the molecular formula of 2-[(4-Methylphenyl)sulfonyl]-3-[3-(2-pyrimidinyloxy)phenyl]-2-propenenitrile?
The molecular formula of 2-[(4-Methylphenyl)sulfonyl]-3-[3-(2-pyrimidinyloxy)phenyl]-2-propenenitrile is C20H15N3O3S.
What is the molecular weight of 2-[(4-Methylphenyl)sulfonyl]-3-[3-(2-pyrimidinyloxy)phenyl]-2-propenenitrile?
The molecular weight of 2-[(4-Methylphenyl)sulfonyl]-3-[3-(2-pyrimidinyloxy)phenyl]-2-propenenitrile is 377.08 g/mol.
Where can I buy 2-[(4-Methylphenyl)sulfonyl]-3-[3-(2-pyrimidinyloxy)phenyl]-2-propenenitrile?
You can request a quote for 2-[(4-Methylphenyl)sulfonyl]-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 2-[(4-Methylphenyl)sulfonyl]-3-[3-(2-pyrimidinyloxy)phenyl]-2-propenenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-Methylphenyl)sulfonyl]-3-[3-(2-pyrimidinyloxy)phenyl]-2-propenenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.