3-Bromo-2,5,6-trimethoxybenzoic acid
TL;DR: 3-Bromo-2,5,6-trimethoxybenzoic acid (CAS 101460-22-4) is a chemical compound with molecular formula C10H11BrO5 and molecular weight 289.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-2,5,6-trimethoxybenzoic acid
Also Known As: 3-Bromo-2,5,6-trimethoxybenzoic acid, Benzoic acid, 3-bromo-2,5,6-trimethoxy-, YHDRAWVCUZZYCU-UHFFFAOYSA-, 3-Bromo-2,5,6-trimethoxybenzoicacid, 3-bromo-2,5,6-trimethoxy-benzoic acid
| Molecular Formula | C10H11BrO5 |
|---|---|
| Molecular Weight | 289.98 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 65.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 289.979 |
| Heavy Atoms | 16 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 101460-22-4 |
|---|---|
| SMILES | COC1=CC(=C(C(=C1OC)C(=O)O)OC)Br |
| InChIKey | YHDRAWVCUZZYCU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Bromo-2,5,6-trimethoxybenzoic acid (CAS 101460-22-4), with molecular formula C10H11BrO5 and molecular weight 289.98 g/mol. IUPAC: 3-bromo-2,5,6-trimethoxybenzoic acid.
Chemical Property Profile of 3-Bromo-2,5,6-trimethoxybenzoic acid
Property Insights of 3-Bromo-2,5,6-trimethoxybenzoic acid
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromo-2,5,6-trimethoxybenzoic acid. The TPSA of 65.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Bromo-2,5,6-trimethoxybenzoic acid. Following Lipinski's Rule of Five, 3-Bromo-2,5,6-trimethoxybenzoic acid has 1 hydrogen bond donor(s) and 5 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 3-Bromo-2,5,6-trimethoxybenzoic acid?
The CAS number of 3-Bromo-2,5,6-trimethoxybenzoic acid is 101460-22-4.
What is the molecular formula of 3-Bromo-2,5,6-trimethoxybenzoic acid?
The molecular formula of 3-Bromo-2,5,6-trimethoxybenzoic acid is C10H11BrO5.
What is the molecular weight of 3-Bromo-2,5,6-trimethoxybenzoic acid?
The molecular weight of 3-Bromo-2,5,6-trimethoxybenzoic acid is 289.98 g/mol.
Where can I buy 3-Bromo-2,5,6-trimethoxybenzoic acid?
You can request a quote for 3-Bromo-2,5,6-trimethoxybenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromo-2,5,6-trimethoxybenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-2,5,6-trimethoxybenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.