Methyl 5-bromo-2,4-dimethylbenzoate
TL;DR: Methyl 5-bromo-2,4-dimethylbenzoate (CAS 152849-72-4) is a chemical compound with molecular formula C10H11BrO2 and molecular weight 241.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-bromo-2,4-dimethylbenzoate
Also Known As: methyl 5-bromo-2,4-dimethylbenzoate, Methyl5-bromo-2,4-dimethylbenzoate, Benzoic acid, 5-bromo-2,4-dimethyl-, methyl ester, Methyl 5-bromo-2,4-dimethyl-benzoate, 7672AA
| Molecular Formula | C10H11BrO2 |
|---|---|
| Molecular Weight | 241.99 g/mol |
| LogP | 2.85254 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 241.99425 |
| Heavy Atoms | 13 |
| Complexity | 345.02313 |
Chemical Identifiers
| CAS Number | 152849-72-4 |
|---|---|
| SMILES | CC1=CC(=C(C=C1C(=O)OC)Br)C |
Product Overview
Methyl 5-bromo-2,4-dimethylbenzoate (CAS 152849-72-4), with molecular formula C10H11BrO2 and molecular weight 241.99 g/mol. IUPAC: methyl 5-bromo-2,4-dimethylbenzoate.
Chemical Property Profile of Methyl 5-bromo-2,4-dimethylbenzoate
Property Insights of Methyl 5-bromo-2,4-dimethylbenzoate
The XLogP value of 2.85254 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 5-bromo-2,4-dimethylbenzoate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 5-bromo-2,4-dimethylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 5-bromo-2,4-dimethylbenzoate 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 5-bromo-2,4-dimethylbenzoate?
The CAS number of Methyl 5-bromo-2,4-dimethylbenzoate is 152849-72-4.
What is the molecular formula of Methyl 5-bromo-2,4-dimethylbenzoate?
The molecular formula of Methyl 5-bromo-2,4-dimethylbenzoate is C10H11BrO2.
What is the molecular weight of Methyl 5-bromo-2,4-dimethylbenzoate?
The molecular weight of Methyl 5-bromo-2,4-dimethylbenzoate is 241.99 g/mol.
Where can I buy Methyl 5-bromo-2,4-dimethylbenzoate?
You can request a quote for Methyl 5-bromo-2,4-dimethylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 5-bromo-2,4-dimethylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-bromo-2,4-dimethylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.