Methyl 3,5-dibromo-4-methylbenzoate
TL;DR: Methyl 3,5-dibromo-4-methylbenzoate (CAS 74896-66-5) is a chemical compound with molecular formula C9H8Br2O2 and molecular weight 305.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3,5-dibromo-4-methylbenzoate
Also Known As: Methyl 3,5-dibromo-4-methylbenzoate, Methyl 3,5-Dibromo-p-toluate, 3-Benzoyl-2-chloropyridine, ZERENEX E/9072914, 3,5-Dibromo-4-methylbenzoic Acid Methyl Ester
| Molecular Formula | C9H8Br2O2 |
|---|---|
| Molecular Weight | 305.89 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 305.8891 |
| Heavy Atoms | 13 |
| Complexity | 184.0 |
Chemical Identifiers
| CAS Number | 74896-66-5 |
|---|---|
| SMILES | CC1=C(C=C(C=C1Br)C(=O)OC)Br |
| InChIKey | SRLAXDDPVYZYNI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 3,5-dibromo-4-methylbenzoate (CAS 74896-66-5), with molecular formula C9H8Br2O2 and molecular weight 305.89 g/mol. IUPAC: methyl 3,5-dibromo-4-methylbenzoate.
Chemical Property Profile of Methyl 3,5-dibromo-4-methylbenzoate
Property Insights of Methyl 3,5-dibromo-4-methylbenzoate
The XLogP value of 3.5 indicates that Methyl 3,5-dibromo-4-methylbenzoate 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 3,5-dibromo-4-methylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3,5-dibromo-4-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
Frequently Asked Questions
What is the CAS number of Methyl 3,5-dibromo-4-methylbenzoate?
The CAS number of Methyl 3,5-dibromo-4-methylbenzoate is 74896-66-5.
What is the molecular formula of Methyl 3,5-dibromo-4-methylbenzoate?
The molecular formula of Methyl 3,5-dibromo-4-methylbenzoate is C9H8Br2O2.
What is the molecular weight of Methyl 3,5-dibromo-4-methylbenzoate?
The molecular weight of Methyl 3,5-dibromo-4-methylbenzoate is 305.89 g/mol.
Where can I buy Methyl 3,5-dibromo-4-methylbenzoate?
You can request a quote for Methyl 3,5-dibromo-4-methylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3,5-dibromo-4-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3,5-dibromo-4-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.