Methyl 2-bromo-3,4,5-trimethoxybenzoate
TL;DR: Methyl 2-bromo-3,4,5-trimethoxybenzoate (CAS 1968-71-4) is a chemical compound with molecular formula C11H13BrO5 and molecular weight 303.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-bromo-3,4,5-trimethoxybenzoate
Also Known As: methyl 2-bromo-3,4,5-trimethoxybenzoate, Methyl 2-bromo-3,4,5-trimethoxy-benzoate, J2.111.607F, 2-bromo-3,4,5-trimethoxy-benzoic acid methyl ester, 2-Bromo-3,4,5-trimethoxybenzoic acid methyl ester
| Molecular Formula | C11H13BrO5 |
|---|---|
| Molecular Weight | 303.99 g/mol |
| LogP | 2.2615 |
| Topological Polar Surface Area | 53.99 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 303.99463 |
| Heavy Atoms | 17 |
| Complexity | 430.36023 |
Chemical Identifiers
| CAS Number | 1968-71-4 |
|---|---|
| SMILES | COC1=C(C(=C(C(=C1)C(=O)OC)Br)OC)OC |
Product Overview
Methyl 2-bromo-3,4,5-trimethoxybenzoate (CAS 1968-71-4), with molecular formula C11H13BrO5 and molecular weight 303.99 g/mol. IUPAC: methyl 2-bromo-3,4,5-trimethoxybenzoate.
Chemical Property Profile of Methyl 2-bromo-3,4,5-trimethoxybenzoate
Property Insights of Methyl 2-bromo-3,4,5-trimethoxybenzoate
The XLogP value of 2.2615 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-bromo-3,4,5-trimethoxybenzoate. With a topological polar surface area (TPSA) of 53.99 Ų, Methyl 2-bromo-3,4,5-trimethoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-bromo-3,4,5-trimethoxybenzoate has 0 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 Methyl 2-bromo-3,4,5-trimethoxybenzoate?
The CAS number of Methyl 2-bromo-3,4,5-trimethoxybenzoate is 1968-71-4.
What is the molecular formula of Methyl 2-bromo-3,4,5-trimethoxybenzoate?
The molecular formula of Methyl 2-bromo-3,4,5-trimethoxybenzoate is C11H13BrO5.
What is the molecular weight of Methyl 2-bromo-3,4,5-trimethoxybenzoate?
The molecular weight of Methyl 2-bromo-3,4,5-trimethoxybenzoate is 303.99 g/mol.
Where can I buy Methyl 2-bromo-3,4,5-trimethoxybenzoate?
You can request a quote for Methyl 2-bromo-3,4,5-trimethoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-bromo-3,4,5-trimethoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-bromo-3,4,5-trimethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.