Methyl 3-bromo-4-methoxybenzoate
TL;DR: Methyl 3-bromo-4-methoxybenzoate (CAS 35450-37-4) is a chemical compound with molecular formula C9H9BrO3 and molecular weight 243.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-bromo-4-methoxybenzoate
Also Known As: Methyl 3-bromo-4-methoxybenzoate, 3-Bromo-4-methoxybenzoic acid methyl ester, Methyl 3-Bromo-p-anisate, Methyl3-bromo-4-methoxybenzoate, N-tert-Pentylmethacrylamide
| Molecular Formula | C9H9BrO3 |
|---|---|
| Molecular Weight | 243.97 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 243.97351 |
| Heavy Atoms | 13 |
| Complexity | 184.0 |
Chemical Identifiers
| CAS Number | 35450-37-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)OC)Br |
| InChIKey | ZREVPFANJBZHEU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 3-bromo-4-methoxybenzoate (CAS 35450-37-4), with molecular formula C9H9BrO3 and molecular weight 243.97 g/mol. IUPAC: methyl 3-bromo-4-methoxybenzoate.
Chemical Property Profile of Methyl 3-bromo-4-methoxybenzoate
Property Insights of Methyl 3-bromo-4-methoxybenzoate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-bromo-4-methoxybenzoate. With a topological polar surface area (TPSA) of 35.5 Ų, Methyl 3-bromo-4-methoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-bromo-4-methoxybenzoate has 0 hydrogen bond donor(s) and 3 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-bromo-4-methoxybenzoate?
The CAS number of Methyl 3-bromo-4-methoxybenzoate is 35450-37-4.
What is the molecular formula of Methyl 3-bromo-4-methoxybenzoate?
The molecular formula of Methyl 3-bromo-4-methoxybenzoate is C9H9BrO3.
What is the molecular weight of Methyl 3-bromo-4-methoxybenzoate?
The molecular weight of Methyl 3-bromo-4-methoxybenzoate is 243.97 g/mol.
Where can I buy Methyl 3-bromo-4-methoxybenzoate?
You can request a quote for Methyl 3-bromo-4-methoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-bromo-4-methoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-bromo-4-methoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.