2-(2-Bromo-4,5-dimethoxyphenyl)-2-methylpropanenitrile
TL;DR: 2-(2-Bromo-4,5-dimethoxyphenyl)-2-methylpropanenitrile (CAS 501662-79-9) is a chemical compound with molecular formula C12H14BrNO2 and molecular weight 283.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-bromo-4,5-dimethoxyphenyl)-2-methylpropanenitrile
Also Known As: 2-(2-bromo-4,5-dimethoxyphenyl)-2-methylpropanenitrile
| Molecular Formula | C12H14BrNO2 |
|---|---|
| Molecular Weight | 283.02 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 42.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 283.02078 |
| Heavy Atoms | 16 |
| Complexity | 284.0 |
Chemical Identifiers
| CAS Number | 501662-79-9 |
|---|---|
| SMILES | CC(C)(C#N)C1=CC(=C(C=C1Br)OC)OC |
| InChIKey | ZKYKQYWANWILPZ-UHFFFAOYSA-N |
Product Overview
2-(2-Bromo-4,5-dimethoxyphenyl)-2-methylpropanenitrile (CAS 501662-79-9), with molecular formula C12H14BrNO2 and molecular weight 283.02 g/mol. IUPAC: 2-(2-bromo-4,5-dimethoxyphenyl)-2-methylpropanenitrile.
Chemical Property Profile of 2-(2-Bromo-4,5-dimethoxyphenyl)-2-methylpropanenitrile
Property Insights of 2-(2-Bromo-4,5-dimethoxyphenyl)-2-methylpropanenitrile
The XLogP value of 3.1 indicates that 2-(2-Bromo-4,5-dimethoxyphenyl)-2-methylpropanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.3 Ų, 2-(2-Bromo-4,5-dimethoxyphenyl)-2-methylpropanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-Bromo-4,5-dimethoxyphenyl)-2-methylpropanenitrile 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 2-(2-Bromo-4,5-dimethoxyphenyl)-2-methylpropanenitrile?
The CAS number of 2-(2-Bromo-4,5-dimethoxyphenyl)-2-methylpropanenitrile is 501662-79-9.
What is the molecular formula of 2-(2-Bromo-4,5-dimethoxyphenyl)-2-methylpropanenitrile?
The molecular formula of 2-(2-Bromo-4,5-dimethoxyphenyl)-2-methylpropanenitrile is C12H14BrNO2.
What is the molecular weight of 2-(2-Bromo-4,5-dimethoxyphenyl)-2-methylpropanenitrile?
The molecular weight of 2-(2-Bromo-4,5-dimethoxyphenyl)-2-methylpropanenitrile is 283.02 g/mol.
Where can I buy 2-(2-Bromo-4,5-dimethoxyphenyl)-2-methylpropanenitrile?
You can request a quote for 2-(2-Bromo-4,5-dimethoxyphenyl)-2-methylpropanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Bromo-4,5-dimethoxyphenyl)-2-methylpropanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Bromo-4,5-dimethoxyphenyl)-2-methylpropanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.