((4-Bromobenzyl)oxy)acetic acid
TL;DR: ((4-Bromobenzyl)oxy)acetic acid (CAS 87179-46-2) 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.
2-[(4-bromophenyl)methoxy]acetic acid
Also Known As: 2-[(4-bromobenzyl)oxy]acetic acid, BBAA, ((4-Bromobenzyl)oxy)acetic acid, 2-[(4-bromophenyl)methoxy]acetic acid, Maybridge3_002826
| Molecular Formula | C9H9BrO3 |
|---|---|
| Molecular Weight | 243.97 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 243.97351 |
| Heavy Atoms | 13 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 87179-46-2 |
|---|---|
| SMILES | C1=CC(=CC=C1COCC(=O)O)Br |
| InChIKey | ZIEXYIQTFZVRBI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
((4-Bromobenzyl)oxy)acetic acid (CAS 87179-46-2), with molecular formula C9H9BrO3 and molecular weight 243.97 g/mol. IUPAC: 2-[(4-bromophenyl)methoxy]acetic acid.
Chemical Property Profile of ((4-Bromobenzyl)oxy)acetic acid
Property Insights of ((4-Bromobenzyl)oxy)acetic acid
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ((4-Bromobenzyl)oxy)acetic acid. With a topological polar surface area (TPSA) of 46.5 Ų, ((4-Bromobenzyl)oxy)acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ((4-Bromobenzyl)oxy)acetic acid has 1 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 ((4-Bromobenzyl)oxy)acetic acid?
The CAS number of ((4-Bromobenzyl)oxy)acetic acid is 87179-46-2.
What is the molecular formula of ((4-Bromobenzyl)oxy)acetic acid?
The molecular formula of ((4-Bromobenzyl)oxy)acetic acid is C9H9BrO3.
What is the molecular weight of ((4-Bromobenzyl)oxy)acetic acid?
The molecular weight of ((4-Bromobenzyl)oxy)acetic acid is 243.97 g/mol.
Where can I buy ((4-Bromobenzyl)oxy)acetic acid?
You can request a quote for ((4-Bromobenzyl)oxy)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ((4-Bromobenzyl)oxy)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for ((4-Bromobenzyl)oxy)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.