2-Bromo-3-benzyloxy-4-methoxybenzoic Acid
TL;DR: 2-Bromo-3-benzyloxy-4-methoxybenzoic Acid (CAS 135586-17-3) is a chemical compound with molecular formula C15H13BrO4 and molecular weight 336.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-4-methoxy-3-phenylmethoxybenzoic acid
Also Known As: 2-Bromo-3-benzyloxy-4-methoxybenzoic Acid, 3-(benzyloxy)-2-bromo-4-methoxybenzoic acid, 2-bromo-4-methoxy-3-phenylmethoxybenzoic acid, NCI60_005834, 2-Bromo-4-methoxy-3-(phenylmethoxy)-benzoic Acid
| Molecular Formula | C15H13BrO4 |
|---|---|
| Molecular Weight | 336.00 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 335.99973 |
| Heavy Atoms | 20 |
| Complexity | 317.0 |
Chemical Identifiers
| CAS Number | 135586-17-3 |
|---|---|
| SMILES | COC1=C(C(=C(C=C1)C(=O)O)Br)OCC2=CC=CC=C2 |
| InChIKey | MNQPGCQOYAYWKT-UHFFFAOYSA-N |
Product Overview
2-Bromo-3-benzyloxy-4-methoxybenzoic Acid (CAS 135586-17-3), with molecular formula C15H13BrO4 and molecular weight 336.00 g/mol. IUPAC: 2-bromo-4-methoxy-3-phenylmethoxybenzoic acid.
Chemical Property Profile of 2-Bromo-3-benzyloxy-4-methoxybenzoic Acid
Property Insights of 2-Bromo-3-benzyloxy-4-methoxybenzoic Acid
The XLogP value of 3.6 indicates that 2-Bromo-3-benzyloxy-4-methoxybenzoic Acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.8 Ų, 2-Bromo-3-benzyloxy-4-methoxybenzoic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-3-benzyloxy-4-methoxybenzoic Acid has 1 hydrogen bond donor(s) and 4 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 2-Bromo-3-benzyloxy-4-methoxybenzoic Acid?
The CAS number of 2-Bromo-3-benzyloxy-4-methoxybenzoic Acid is 135586-17-3.
What is the molecular formula of 2-Bromo-3-benzyloxy-4-methoxybenzoic Acid?
The molecular formula of 2-Bromo-3-benzyloxy-4-methoxybenzoic Acid is C15H13BrO4.
What is the molecular weight of 2-Bromo-3-benzyloxy-4-methoxybenzoic Acid?
The molecular weight of 2-Bromo-3-benzyloxy-4-methoxybenzoic Acid is 336.00 g/mol.
Where can I buy 2-Bromo-3-benzyloxy-4-methoxybenzoic Acid?
You can request a quote for 2-Bromo-3-benzyloxy-4-methoxybenzoic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-3-benzyloxy-4-methoxybenzoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-3-benzyloxy-4-methoxybenzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.