3-(3,5-Dibromo-4-methoxyphenyl)-2-pyridin-2-ylprop-2-enenitrile
TL;DR: 3-(3,5-Dibromo-4-methoxyphenyl)-2-pyridin-2-ylprop-2-enenitrile (CAS 158689-46-4) is a chemical compound with molecular formula C15H10Br2N2O and molecular weight 391.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,5-dibromo-4-methoxyphenyl)-2-pyridin-2-ylprop-2-enenitrile
Also Known As: NCI60_020951, 3-(3,5-dibromo-4-methoxyphenyl)-2-(pyridin-2-yl)prop-2-enenitrile, 3-(3,5-dibromo-4-methoxyphenyl)-2-pyridin-2-ylprop-2-enenitrile
| Molecular Formula | C15H10Br2N2O |
|---|---|
| Molecular Weight | 391.92 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 45.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 391.916 |
| Heavy Atoms | 20 |
| Complexity | 392.0 |
Chemical Identifiers
| CAS Number | 158689-46-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1Br)C=C(C#N)C2=CC=CC=N2)Br |
| InChIKey | PLKORTXHPYLYAB-UHFFFAOYSA-N |
Product Overview
3-(3,5-Dibromo-4-methoxyphenyl)-2-pyridin-2-ylprop-2-enenitrile (CAS 158689-46-4), with molecular formula C15H10Br2N2O and molecular weight 391.92 g/mol. IUPAC: 3-(3,5-dibromo-4-methoxyphenyl)-2-pyridin-2-ylprop-2-enenitrile.
Chemical Property Profile of 3-(3,5-Dibromo-4-methoxyphenyl)-2-pyridin-2-ylprop-2-enenitrile
Property Insights of 3-(3,5-Dibromo-4-methoxyphenyl)-2-pyridin-2-ylprop-2-enenitrile
The XLogP value of 4.0 indicates that 3-(3,5-Dibromo-4-methoxyphenyl)-2-pyridin-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 45.9 Ų, 3-(3,5-Dibromo-4-methoxyphenyl)-2-pyridin-2-ylprop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3,5-Dibromo-4-methoxyphenyl)-2-pyridin-2-ylprop-2-enenitrile has 0 hydrogen bond donor(s) and 3 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-(3,5-Dibromo-4-methoxyphenyl)-2-pyridin-2-ylprop-2-enenitrile?
The CAS number of 3-(3,5-Dibromo-4-methoxyphenyl)-2-pyridin-2-ylprop-2-enenitrile is 158689-46-4.
What is the molecular formula of 3-(3,5-Dibromo-4-methoxyphenyl)-2-pyridin-2-ylprop-2-enenitrile?
The molecular formula of 3-(3,5-Dibromo-4-methoxyphenyl)-2-pyridin-2-ylprop-2-enenitrile is C15H10Br2N2O.
What is the molecular weight of 3-(3,5-Dibromo-4-methoxyphenyl)-2-pyridin-2-ylprop-2-enenitrile?
The molecular weight of 3-(3,5-Dibromo-4-methoxyphenyl)-2-pyridin-2-ylprop-2-enenitrile is 391.92 g/mol.
Where can I buy 3-(3,5-Dibromo-4-methoxyphenyl)-2-pyridin-2-ylprop-2-enenitrile?
You can request a quote for 3-(3,5-Dibromo-4-methoxyphenyl)-2-pyridin-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-(3,5-Dibromo-4-methoxyphenyl)-2-pyridin-2-ylprop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,5-Dibromo-4-methoxyphenyl)-2-pyridin-2-ylprop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.