1-Bromo-2,3,4-trimethoxybenzene
TL;DR: 1-Bromo-2,3,4-trimethoxybenzene (CAS 1187168-43-9) is a chemical compound with molecular formula C9H11BrO3 and molecular weight 245.98917 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-bromo-2,3,4-trimethoxybenzene
Also Known As: 1-bromo-2,3,4-trimethoxybenzene, 2,3,4-(Trimethoxy)bromobenzene, trimethoxy bromobenzene, NCIOpen2_004640, 2,3,4-Trimethoxyphenyl bromide
Application Areas
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H11BrO3 |
| Molecular Weight | 245.98917 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 245.98917 Da |
| Heavy Atoms | 13 |
| Complexity | 154.0 |
| SMILES | COC1=C(C(=C(C=C1)Br)OC)OC |
| InChIKey | HKCQJLVIFMFOTG-UHFFFAOYSA-N |
Chemical Property Profile of 1-Bromo-2,3,4-trimethoxybenzene
Property Insights of 1-Bromo-2,3,4-trimethoxybenzene
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Bromo-2,3,4-trimethoxybenzene. With a topological polar surface area (TPSA) of 27.7 Ų, 1-Bromo-2,3,4-trimethoxybenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Bromo-2,3,4-trimethoxybenzene 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 1-Bromo-2,3,4-trimethoxybenzene?
The CAS number of 1-Bromo-2,3,4-trimethoxybenzene is 1187168-43-9.
What is the molecular formula of 1-Bromo-2,3,4-trimethoxybenzene?
The molecular formula of 1-Bromo-2,3,4-trimethoxybenzene is C9H11BrO3.
What is the molecular weight of 1-Bromo-2,3,4-trimethoxybenzene?
The molecular weight of 1-Bromo-2,3,4-trimethoxybenzene is 245.98917 g/mol.
Where can I buy 1-Bromo-2,3,4-trimethoxybenzene?
You can request a quote for 1-Bromo-2,3,4-trimethoxybenzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Bromo-2,3,4-trimethoxybenzene?
Yes, CoreyChem provides custom synthesis services for 1-Bromo-2,3,4-trimethoxybenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.