Methyl 4-bromo-2,3,5,6-tetramethylbenzoate
TL;DR: Methyl 4-bromo-2,3,5,6-tetramethylbenzoate (CAS 28195-39-3) is a chemical compound with molecular formula C12H15BrO2 and molecular weight 270.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-bromo-2,3,5,6-tetramethylbenzoate
Also Known As: Methyl 4-bromo-2,3,5,6-tetramethylbenzoate, J1.412.569H, 2,3,5,6-Tetramethyl-4-bromobenzoic acid methyl ester, 4-Bromo-2,3,5,6-tetramethylbenzoic acid methyl ester, Benzoic acid, 4-bromo-2,3,5,6-tetramethyl-, methyl ester
| Molecular Formula | C12H15BrO2 |
|---|---|
| Molecular Weight | 270.03 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 270.02554 |
| Heavy Atoms | 15 |
| Complexity | 226.0 |
Chemical Identifiers
| CAS Number | 28195-39-3 |
|---|---|
| SMILES | CC1=C(C(=C(C(=C1C(=O)OC)C)C)Br)C |
| InChIKey | POKHEAQHZYVHRG-UHFFFAOYSA-N |
Product Overview
Methyl 4-bromo-2,3,5,6-tetramethylbenzoate (CAS 28195-39-3), with molecular formula C12H15BrO2 and molecular weight 270.03 g/mol. IUPAC: methyl 4-bromo-2,3,5,6-tetramethylbenzoate.
Chemical Property Profile of Methyl 4-bromo-2,3,5,6-tetramethylbenzoate
Property Insights of Methyl 4-bromo-2,3,5,6-tetramethylbenzoate
The XLogP value of 3.9 indicates that Methyl 4-bromo-2,3,5,6-tetramethylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 4-bromo-2,3,5,6-tetramethylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-bromo-2,3,5,6-tetramethylbenzoate has 0 hydrogen bond donor(s) and 2 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 4-bromo-2,3,5,6-tetramethylbenzoate?
The CAS number of Methyl 4-bromo-2,3,5,6-tetramethylbenzoate is 28195-39-3.
What is the molecular formula of Methyl 4-bromo-2,3,5,6-tetramethylbenzoate?
The molecular formula of Methyl 4-bromo-2,3,5,6-tetramethylbenzoate is C12H15BrO2.
What is the molecular weight of Methyl 4-bromo-2,3,5,6-tetramethylbenzoate?
The molecular weight of Methyl 4-bromo-2,3,5,6-tetramethylbenzoate is 270.03 g/mol.
Where can I buy Methyl 4-bromo-2,3,5,6-tetramethylbenzoate?
You can request a quote for Methyl 4-bromo-2,3,5,6-tetramethylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-bromo-2,3,5,6-tetramethylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-bromo-2,3,5,6-tetramethylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.