(2-Bromo-5-methoxy-4-methylphenyl)acetic acid
TL;DR: (2-Bromo-5-methoxy-4-methylphenyl)acetic acid (CAS 7596-60-3) is a chemical compound with molecular formula C10H11BrO3 and molecular weight 257.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-bromo-5-methoxy-4-methylphenyl)acetic acid
Also Known As: (2-bromo-5-methoxy-4-methylphenyl)acetic acid, 5-Acetamido-1,3-dimethylpyrazole, KST-1A8110, 2-(2-bromo-5-methoxy-4-methylphenyl)acetic acid, (2-bromo-5-methoxy-4-methyl-phenyl)-acetic acid
| Molecular Formula | C10H11BrO3 |
|---|---|
| Molecular Weight | 257.99 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 257.98917 |
| Heavy Atoms | 14 |
| Complexity | 208.0 |
Chemical Identifiers
| CAS Number | 7596-60-3 |
|---|---|
| SMILES | CC1=CC(=C(C=C1OC)CC(=O)O)Br |
| InChIKey | XIFCQXGNMPMNLU-UHFFFAOYSA-N |
Product Overview
(2-Bromo-5-methoxy-4-methylphenyl)acetic acid (CAS 7596-60-3), with molecular formula C10H11BrO3 and molecular weight 257.99 g/mol. IUPAC: 2-(2-bromo-5-methoxy-4-methylphenyl)acetic acid.
Chemical Property Profile of (2-Bromo-5-methoxy-4-methylphenyl)acetic acid
Property Insights of (2-Bromo-5-methoxy-4-methylphenyl)acetic acid
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Bromo-5-methoxy-4-methylphenyl)acetic acid. With a topological polar surface area (TPSA) of 46.5 Ų, (2-Bromo-5-methoxy-4-methylphenyl)acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-Bromo-5-methoxy-4-methylphenyl)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-5-methoxy-4-methylphenyl)acetic acid?
The CAS number of (2-Bromo-5-methoxy-4-methylphenyl)acetic acid is 7596-60-3.
What is the molecular formula of (2-Bromo-5-methoxy-4-methylphenyl)acetic acid?
The molecular formula of (2-Bromo-5-methoxy-4-methylphenyl)acetic acid is C10H11BrO3.
What is the molecular weight of (2-Bromo-5-methoxy-4-methylphenyl)acetic acid?
The molecular weight of (2-Bromo-5-methoxy-4-methylphenyl)acetic acid is 257.99 g/mol.
Where can I buy (2-Bromo-5-methoxy-4-methylphenyl)acetic acid?
You can request a quote for (2-Bromo-5-methoxy-4-methylphenyl)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-5-methoxy-4-methylphenyl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (2-Bromo-5-methoxy-4-methylphenyl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.