3-Bromo-2,6-dimethylbenzoic acid
TL;DR: 3-Bromo-2,6-dimethylbenzoic acid (CAS 123278-07-9) is a chemical compound with molecular formula C9H9BrO2 and molecular weight 227.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-2,6-dimethylbenzoic acid
Also Known As: 3-bromo-2,6-dimethylbenzoic acid, Benzoic acid, 3-bromo-2,6-dimethyl-, Chloromethyl p-Tolyl Sulfide, 3-bromo-2,6-dimethyl-benzoic acid, 3-bromo-2,6-dimethylbenzoicacid
| Molecular Formula | C9H9BrO2 |
|---|---|
| Molecular Weight | 227.98 g/mol |
| LogP | 2.76414 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 227.97859 |
| Heavy Atoms | 12 |
| Complexity | 331.54556 |
Chemical Identifiers
| CAS Number | 123278-07-9 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1)Br)C)C(=O)O |
Product Overview
3-Bromo-2,6-dimethylbenzoic acid (CAS 123278-07-9), with molecular formula C9H9BrO2 and molecular weight 227.98 g/mol. IUPAC: 3-bromo-2,6-dimethylbenzoic acid.
Chemical Property Profile of 3-Bromo-2,6-dimethylbenzoic acid
Property Insights of 3-Bromo-2,6-dimethylbenzoic acid
The XLogP value of 2.76414 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromo-2,6-dimethylbenzoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 3-Bromo-2,6-dimethylbenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-2,6-dimethylbenzoic acid has 1 hydrogen bond donor(s) and 1 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-2,6-dimethylbenzoic acid?
The CAS number of 3-Bromo-2,6-dimethylbenzoic acid is 123278-07-9.
What is the molecular formula of 3-Bromo-2,6-dimethylbenzoic acid?
The molecular formula of 3-Bromo-2,6-dimethylbenzoic acid is C9H9BrO2.
What is the molecular weight of 3-Bromo-2,6-dimethylbenzoic acid?
The molecular weight of 3-Bromo-2,6-dimethylbenzoic acid is 227.98 g/mol.
Where can I buy 3-Bromo-2,6-dimethylbenzoic acid?
You can request a quote for 3-Bromo-2,6-dimethylbenzoic 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-2,6-dimethylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-2,6-dimethylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.