Methyl 2-(2-bromo-4,5-dimethoxyphenyl)acetate
TL;DR: Methyl 2-(2-bromo-4,5-dimethoxyphenyl)acetate (CAS 4697-57-8) is a chemical compound with molecular formula C11H13BrO4 and molecular weight 288.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(2-bromo-4,5-dimethoxyphenyl)acetate
Also Known As: methyl 2-(2-bromo-4,5-dimethoxyphenyl)acetate, Methyl 2-bromo-4,5-dimethoxyphenylacetate, Methyl (2-bromo-4,5-dimethoxyphenyl)acetate, NCI60_011825, methyl 2-(2-bromo-4,5-dimethoxy-phenyl)acetate
| Molecular Formula | C11H13BrO4 |
|---|---|
| Molecular Weight | 288.00 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 287.99973 |
| Heavy Atoms | 16 |
| Complexity | 234.0 |
Chemical Identifiers
| CAS Number | 4697-57-8 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)CC(=O)OC)Br)OC |
| InChIKey | UIVBNMQTXLCVTF-UHFFFAOYSA-N |
Product Overview
Methyl 2-(2-bromo-4,5-dimethoxyphenyl)acetate (CAS 4697-57-8), with molecular formula C11H13BrO4 and molecular weight 288.00 g/mol. IUPAC: methyl 2-(2-bromo-4,5-dimethoxyphenyl)acetate.
Chemical Property Profile of Methyl 2-(2-bromo-4,5-dimethoxyphenyl)acetate
Property Insights of Methyl 2-(2-bromo-4,5-dimethoxyphenyl)acetate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(2-bromo-4,5-dimethoxyphenyl)acetate. With a topological polar surface area (TPSA) of 44.8 Ų, Methyl 2-(2-bromo-4,5-dimethoxyphenyl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-(2-bromo-4,5-dimethoxyphenyl)acetate has 0 hydrogen bond donor(s) and 4 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-(2-bromo-4,5-dimethoxyphenyl)acetate?
The CAS number of Methyl 2-(2-bromo-4,5-dimethoxyphenyl)acetate is 4697-57-8.
What is the molecular formula of Methyl 2-(2-bromo-4,5-dimethoxyphenyl)acetate?
The molecular formula of Methyl 2-(2-bromo-4,5-dimethoxyphenyl)acetate is C11H13BrO4.
What is the molecular weight of Methyl 2-(2-bromo-4,5-dimethoxyphenyl)acetate?
The molecular weight of Methyl 2-(2-bromo-4,5-dimethoxyphenyl)acetate is 288.00 g/mol.
Where can I buy Methyl 2-(2-bromo-4,5-dimethoxyphenyl)acetate?
You can request a quote for Methyl 2-(2-bromo-4,5-dimethoxyphenyl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(2-bromo-4,5-dimethoxyphenyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(2-bromo-4,5-dimethoxyphenyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.