2-Bromo-2-(4-methoxyphenyl)acetic acid
TL;DR: 2-Bromo-2-(4-methoxyphenyl)acetic acid (CAS 17589-67-2) 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-bromo-2-(4-methoxyphenyl)acetic acid
Also Known As: 2-bromo-2-(4-methoxyphenyl)acetic acid, bromo(4-methoxyphenyl)acetic acid, 2-bromo-2-(4-methoxyphenyl)aceticacid, Benzeneacetic acid, alpha-bromo-4-methoxy-, 2-BROMO-4/'-METHOXYPHENYL ACETIC ACID
| Molecular Formula | C9H9BrO3 |
|---|---|
| Molecular Weight | 243.97 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 | 243.97351 |
| Heavy Atoms | 13 |
| Complexity | 176.0 |
Chemical Identifiers
| CAS Number | 17589-67-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(C(=O)O)Br |
| InChIKey | QHYJNYKGUSUPMN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Bromo-2-(4-methoxyphenyl)acetic acid (CAS 17589-67-2), with molecular formula C9H9BrO3 and molecular weight 243.97 g/mol. IUPAC: 2-bromo-2-(4-methoxyphenyl)acetic acid.
Chemical Property Profile of 2-Bromo-2-(4-methoxyphenyl)acetic acid
Property Insights of 2-Bromo-2-(4-methoxyphenyl)acetic acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Bromo-2-(4-methoxyphenyl)acetic acid. With a topological polar surface area (TPSA) of 46.5 Ų, 2-Bromo-2-(4-methoxyphenyl)acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-2-(4-methoxyphenyl)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 2-Bromo-2-(4-methoxyphenyl)acetic acid?
The CAS number of 2-Bromo-2-(4-methoxyphenyl)acetic acid is 17589-67-2.
What is the molecular formula of 2-Bromo-2-(4-methoxyphenyl)acetic acid?
The molecular formula of 2-Bromo-2-(4-methoxyphenyl)acetic acid is C9H9BrO3.
What is the molecular weight of 2-Bromo-2-(4-methoxyphenyl)acetic acid?
The molecular weight of 2-Bromo-2-(4-methoxyphenyl)acetic acid is 243.97 g/mol.
Where can I buy 2-Bromo-2-(4-methoxyphenyl)acetic acid?
You can request a quote for 2-Bromo-2-(4-methoxyphenyl)acetic 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-2-(4-methoxyphenyl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-2-(4-methoxyphenyl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.