(E)-3-(2-bromo-4,5-dimethoxyphenyl)prop-2-enenitrile
TL;DR: (E)-3-(2-bromo-4,5-dimethoxyphenyl)prop-2-enenitrile (CAS 1208977-77-8) is a chemical compound with molecular formula C11H10BrNO2 and molecular weight 266.9895 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-3-(2-bromo-4,5-dimethoxyphenyl)prop-2-enenitrile
Also Known As: 2-bromo-4,5-dimethoxycinnamonitrile, (E)-3-(2-bromo-4,5-dimethoxyphenyl)prop-2-enenitrile
Technical Specifications
| Molecular Formula | C11H10BrNO2 |
| Molecular Weight | 266.9895 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 42.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 266.9895 Da |
| Heavy Atoms | 15 |
| Complexity | 271.0 |
| SMILES | COC1=C(C=C(C(=C1)/C=C/C#N)Br)OC |
| InChIKey | IGVWVMMBURISPS-ONEGZZNKSA-N |
Chemical Property Profile of (E)-3-(2-bromo-4,5-dimethoxyphenyl)prop-2-enenitrile
Property Insights of (E)-3-(2-bromo-4,5-dimethoxyphenyl)prop-2-enenitrile
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-3-(2-bromo-4,5-dimethoxyphenyl)prop-2-enenitrile. With a topological polar surface area (TPSA) of 42.3 Ų, (E)-3-(2-bromo-4,5-dimethoxyphenyl)prop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-3-(2-bromo-4,5-dimethoxyphenyl)prop-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
What is the CAS number of (E)-3-(2-bromo-4,5-dimethoxyphenyl)prop-2-enenitrile?
The CAS number of (E)-3-(2-bromo-4,5-dimethoxyphenyl)prop-2-enenitrile is 1208977-77-8.
What is the molecular formula of (E)-3-(2-bromo-4,5-dimethoxyphenyl)prop-2-enenitrile?
The molecular formula of (E)-3-(2-bromo-4,5-dimethoxyphenyl)prop-2-enenitrile is C11H10BrNO2.
What is the molecular weight of (E)-3-(2-bromo-4,5-dimethoxyphenyl)prop-2-enenitrile?
The molecular weight of (E)-3-(2-bromo-4,5-dimethoxyphenyl)prop-2-enenitrile is 266.9895 g/mol.
Where can I buy (E)-3-(2-bromo-4,5-dimethoxyphenyl)prop-2-enenitrile?
You can request a quote for (E)-3-(2-bromo-4,5-dimethoxyphenyl)prop-2-enenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (E)-3-(2-bromo-4,5-dimethoxyphenyl)prop-2-enenitrile?
Yes, CoreyChem provides custom synthesis services for (E)-3-(2-bromo-4,5-dimethoxyphenyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.