Benzyl 3-bromo-4-methoxybenzoate
TL;DR: Benzyl 3-bromo-4-methoxybenzoate (CAS 817565-24-5) is a chemical compound with molecular formula C15H13BrO3 and molecular weight 320.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 3-bromo-4-methoxybenzoate
Also Known As: benzyl 3-bromo-4-methoxybenzoate, phenylmethyl 3-bromo-4-methoxybenzoate, AN-329/42812016, A1-35148
| Molecular Formula | C15H13BrO3 |
|---|---|
| Molecular Weight | 320.00 g/mol |
| LogP | 3.8147 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 320.00482 |
| Heavy Atoms | 19 |
| Complexity | 566.8583 |
Chemical Identifiers
| CAS Number | 817565-24-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)OCC2=CC=CC=C2)Br |
Product Overview
Benzyl 3-bromo-4-methoxybenzoate (CAS 817565-24-5), with molecular formula C15H13BrO3 and molecular weight 320.00 g/mol. IUPAC: benzyl 3-bromo-4-methoxybenzoate.
Chemical Property Profile of Benzyl 3-bromo-4-methoxybenzoate
Property Insights of Benzyl 3-bromo-4-methoxybenzoate
The XLogP value of 3.8147 indicates that Benzyl 3-bromo-4-methoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, Benzyl 3-bromo-4-methoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl 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 Benzyl 3-bromo-4-methoxybenzoate?
The CAS number of Benzyl 3-bromo-4-methoxybenzoate is 817565-24-5.
What is the molecular formula of Benzyl 3-bromo-4-methoxybenzoate?
The molecular formula of Benzyl 3-bromo-4-methoxybenzoate is C15H13BrO3.
What is the molecular weight of Benzyl 3-bromo-4-methoxybenzoate?
The molecular weight of Benzyl 3-bromo-4-methoxybenzoate is 320.00 g/mol.
Where can I buy Benzyl 3-bromo-4-methoxybenzoate?
You can request a quote for Benzyl 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 Benzyl 3-bromo-4-methoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 3-bromo-4-methoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.