(3-Bromophenoxy)acetic acid
TL;DR: (3-Bromophenoxy)acetic acid (CAS 1798-99-8) is a chemical compound with molecular formula C8H7BrO3 and molecular weight 229.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-bromophenoxy)acetic acid
Also Known As: 2-(3-bromophenoxy)acetic acid, (3-bromophenoxy)acetic acid, 3-Bromophenoxyacetic acid, (3-Bromo-phenoxy)-acetic acid, M-bromophenoxyacetic acid
| Molecular Formula | C8H7BrO3 |
|---|---|
| Molecular Weight | 229.96 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 229.95786 |
| Heavy Atoms | 12 |
| Complexity | 160.0 |
Chemical Identifiers
| CAS Number | 1798-99-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Br)OCC(=O)O |
| InChIKey | CRKQPDCSWOJBJY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(3-Bromophenoxy)acetic acid (CAS 1798-99-8), with molecular formula C8H7BrO3 and molecular weight 229.96 g/mol. IUPAC: 2-(3-bromophenoxy)acetic acid.
Chemical Property Profile of (3-Bromophenoxy)acetic acid
Property Insights of (3-Bromophenoxy)acetic acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-Bromophenoxy)acetic acid. With a topological polar surface area (TPSA) of 46.5 Ų, (3-Bromophenoxy)acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-Bromophenoxy)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 (3-Bromophenoxy)acetic acid?
The CAS number of (3-Bromophenoxy)acetic acid is 1798-99-8.
What is the molecular formula of (3-Bromophenoxy)acetic acid?
The molecular formula of (3-Bromophenoxy)acetic acid is C8H7BrO3.
What is the molecular weight of (3-Bromophenoxy)acetic acid?
The molecular weight of (3-Bromophenoxy)acetic acid is 229.96 g/mol.
Where can I buy (3-Bromophenoxy)acetic acid?
You can request a quote for (3-Bromophenoxy)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Bromophenoxy)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (3-Bromophenoxy)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.