5-Bromo-1,2,3-trimethoxybenzene
TL;DR: 5-Bromo-1,2,3-trimethoxybenzene (CAS 2675-79-8) is a chemical compound with molecular formula C9H11BrO3 and molecular weight 245.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-1,2,3-trimethoxybenzene
Also Known As: 1-Bromo-3,4,5-trimethoxybenzene, 5-Bromo-1,2,3-trimethoxybenzene, 3,4,5-Trimethoxybromobenzene, BROMOTRIMETHOXYBENZENE, Benzene, 5-bromo-1,2,3-trimethoxy-
| Molecular Formula | C9H11BrO3 |
|---|---|
| Molecular Weight | 245.99 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 245.98917 |
| Heavy Atoms | 13 |
| Complexity | 140.0 |
Chemical Identifiers
| CAS Number | 2675-79-8 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)Br |
| InChIKey | XAOOZMATJDXDQJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Bromo-1,2,3-trimethoxybenzene (CAS 2675-79-8), with molecular formula C9H11BrO3 and molecular weight 245.99 g/mol. IUPAC: 5-bromo-1,2,3-trimethoxybenzene.
Chemical Property Profile of 5-Bromo-1,2,3-trimethoxybenzene
Property Insights of 5-Bromo-1,2,3-trimethoxybenzene
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Bromo-1,2,3-trimethoxybenzene. With a topological polar surface area (TPSA) of 27.7 Ų, 5-Bromo-1,2,3-trimethoxybenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Bromo-1,2,3-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
Frequently Asked Questions
What is the CAS number of 5-Bromo-1,2,3-trimethoxybenzene?
The CAS number of 5-Bromo-1,2,3-trimethoxybenzene is 2675-79-8.
What is the molecular formula of 5-Bromo-1,2,3-trimethoxybenzene?
The molecular formula of 5-Bromo-1,2,3-trimethoxybenzene is C9H11BrO3.
What is the molecular weight of 5-Bromo-1,2,3-trimethoxybenzene?
The molecular weight of 5-Bromo-1,2,3-trimethoxybenzene is 245.99 g/mol.
Where can I buy 5-Bromo-1,2,3-trimethoxybenzene?
You can request a quote for 5-Bromo-1,2,3-trimethoxybenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Bromo-1,2,3-trimethoxybenzene?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-1,2,3-trimethoxybenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.