2-Bromo-4,5-dimethoxybenzonitrile
TL;DR: 2-Bromo-4,5-dimethoxybenzonitrile (CAS 109305-98-8) is a chemical compound with molecular formula C9H8BrNO2 and molecular weight 240.97385 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-bromo-4,5-dimethoxybenzonitrile
Also Known As: 2-bromo-4,5-dimethoxybenzonitrile, 2-bromo-4,5-dimethoxy-benzonitrile, 2-Bromo-45-dimethoxybenzonitrile, Benzonitrile,2-bromo-4,5-dimethoxy-, 2-bromo-4,5-dimethoxybenzenecarbonitrile
Technical Specifications
| Molecular Formula | C9H8BrNO2 |
| Molecular Weight | 240.97385 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 42.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 240.97385 Da |
| Heavy Atoms | 13 |
| Complexity | 213.0 |
| SMILES | COC1=C(C=C(C(=C1)C#N)Br)OC |
| InChIKey | BCLBFUAPLHUFET-UHFFFAOYSA-N |
Chemical Property Profile of 2-Bromo-4,5-dimethoxybenzonitrile
Property Insights of 2-Bromo-4,5-dimethoxybenzonitrile
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Bromo-4,5-dimethoxybenzonitrile. With a topological polar surface area (TPSA) of 42.3 Ų, 2-Bromo-4,5-dimethoxybenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-4,5-dimethoxybenzonitrile 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 2-Bromo-4,5-dimethoxybenzonitrile?
The CAS number of 2-Bromo-4,5-dimethoxybenzonitrile is 109305-98-8.
What is the molecular formula of 2-Bromo-4,5-dimethoxybenzonitrile?
The molecular formula of 2-Bromo-4,5-dimethoxybenzonitrile is C9H8BrNO2.
What is the molecular weight of 2-Bromo-4,5-dimethoxybenzonitrile?
The molecular weight of 2-Bromo-4,5-dimethoxybenzonitrile is 240.97385 g/mol.
Where can I buy 2-Bromo-4,5-dimethoxybenzonitrile?
You can request a quote for 2-Bromo-4,5-dimethoxybenzonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Bromo-4,5-dimethoxybenzonitrile?
Yes, CoreyChem provides custom synthesis services for 2-Bromo-4,5-dimethoxybenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.