3-Bromo-6-methoxy-2-methylbenzoic acid
TL;DR: 3-Bromo-6-methoxy-2-methylbenzoic acid (CAS 220901-25-7) 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.
3-bromo-6-methoxy-2-methylbenzoic acid
Also Known As: 3-bromo-6-methoxy-2-methylbenzoic acid, 2-Methyl-3-bromo-6-methoxybenzoic acid, Benzoic acid, 3-bromo-6-methoxy-2-methyl-, 5-bromo-2-methoxy-6-methylbenzoic acid, 3-bromo-6-methoxy-2-methyl-benzoic Acid
| Molecular Formula | C9H9BrO3 |
|---|---|
| Molecular Weight | 243.97 g/mol |
| LogP | 2.46432 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 243.97351 |
| Heavy Atoms | 13 |
| Complexity | 346.9582 |
Chemical Identifiers
| CAS Number | 220901-25-7 |
|---|---|
| SMILES | CC1=C(C=CC(=C1C(=O)O)OC)Br |
Product Overview
3-Bromo-6-methoxy-2-methylbenzoic acid (CAS 220901-25-7), with molecular formula C9H9BrO3 and molecular weight 243.97 g/mol. IUPAC: 3-bromo-6-methoxy-2-methylbenzoic acid.
Chemical Property Profile of 3-Bromo-6-methoxy-2-methylbenzoic acid
Property Insights of 3-Bromo-6-methoxy-2-methylbenzoic acid
The XLogP value of 2.46432 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromo-6-methoxy-2-methylbenzoic acid. With a topological polar surface area (TPSA) of 46.53 Ų, 3-Bromo-6-methoxy-2-methylbenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-6-methoxy-2-methylbenzoic acid has 1 hydrogen bond donor(s) and 2 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-Bromo-6-methoxy-2-methylbenzoic acid?
The CAS number of 3-Bromo-6-methoxy-2-methylbenzoic acid is 220901-25-7.
What is the molecular formula of 3-Bromo-6-methoxy-2-methylbenzoic acid?
The molecular formula of 3-Bromo-6-methoxy-2-methylbenzoic acid is C9H9BrO3.
What is the molecular weight of 3-Bromo-6-methoxy-2-methylbenzoic acid?
The molecular weight of 3-Bromo-6-methoxy-2-methylbenzoic acid is 243.97 g/mol.
Where can I buy 3-Bromo-6-methoxy-2-methylbenzoic acid?
You can request a quote for 3-Bromo-6-methoxy-2-methylbenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromo-6-methoxy-2-methylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-6-methoxy-2-methylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.