Methyl 4-bromo-3-methylbenzoate
TL;DR: Methyl 4-bromo-3-methylbenzoate (CAS 1038595-51-5) is a chemical compound with molecular formula C9H9BrO2 and molecular weight 227.97859 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-bromo-3-methylbenzoate
Also Known As: Methyl 4-bromo-3-methylbenzoate, Methyl 4-Bromo-m-toluate, 4-Bromo-3-methylbenzoic Acid Methyl Ester, METHYL4-BROMO-3-METHYLBENZOATE, BENZOIC ACID, 4-BROMO-3-METHYL-, METHYL ESTER
Technical Specifications
| Molecular Formula | C9H9BrO2 |
| Molecular Weight | 227.97859 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 227.97859 Da |
| Heavy Atoms | 12 |
| Complexity | 170.0 |
| SMILES | CC1=C(C=CC(=C1)C(=O)OC)Br |
| InChIKey | GTZTYNPAPQKIIR-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 4-bromo-3-methylbenzoate
Property Insights of Methyl 4-bromo-3-methylbenzoate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-bromo-3-methylbenzoate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 4-bromo-3-methylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-bromo-3-methylbenzoate 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
What is the CAS number of Methyl 4-bromo-3-methylbenzoate?
The CAS number of Methyl 4-bromo-3-methylbenzoate is 1038595-51-5.
What is the molecular formula of Methyl 4-bromo-3-methylbenzoate?
The molecular formula of Methyl 4-bromo-3-methylbenzoate is C9H9BrO2.
What is the molecular weight of Methyl 4-bromo-3-methylbenzoate?
The molecular weight of Methyl 4-bromo-3-methylbenzoate is 227.97859 g/mol.
Where can I buy Methyl 4-bromo-3-methylbenzoate?
You can request a quote for Methyl 4-bromo-3-methylbenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 4-bromo-3-methylbenzoate?
Yes, CoreyChem provides custom synthesis services for Methyl 4-bromo-3-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.