4-Bromo-2,3,5,6-tetramethylbenzoic acid
TL;DR: 4-Bromo-2,3,5,6-tetramethylbenzoic acid (CAS 3360-64-3) is a chemical compound with molecular formula C11H13BrO2 and molecular weight 256.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-2,3,5,6-tetramethylbenzoic acid
Also Known As: 4-Bromo-2,3,5,6-tetramethylbenzoic acid, bromodurene carboxylic acid, 4-bromo-2,3,5,6-tetramethyl-benzoic acid, J1.412.624D
| Molecular Formula | C11H13BrO2 |
|---|---|
| Molecular Weight | 256.01 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 256.0099 |
| Heavy Atoms | 14 |
| Complexity | 213.0 |
Chemical Identifiers
| CAS Number | 3360-64-3 |
|---|---|
| SMILES | CC1=C(C(=C(C(=C1C(=O)O)C)C)Br)C |
| InChIKey | SPUCMYKNWOMAQX-UHFFFAOYSA-N |
Product Overview
4-Bromo-2,3,5,6-tetramethylbenzoic acid (CAS 3360-64-3), with molecular formula C11H13BrO2 and molecular weight 256.01 g/mol. IUPAC: 4-bromo-2,3,5,6-tetramethylbenzoic acid.
Chemical Property Profile of 4-Bromo-2,3,5,6-tetramethylbenzoic acid
Property Insights of 4-Bromo-2,3,5,6-tetramethylbenzoic acid
The XLogP value of 3.6 indicates that 4-Bromo-2,3,5,6-tetramethylbenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 4-Bromo-2,3,5,6-tetramethylbenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-2,3,5,6-tetramethylbenzoic 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 4-Bromo-2,3,5,6-tetramethylbenzoic acid?
The CAS number of 4-Bromo-2,3,5,6-tetramethylbenzoic acid is 3360-64-3.
What is the molecular formula of 4-Bromo-2,3,5,6-tetramethylbenzoic acid?
The molecular formula of 4-Bromo-2,3,5,6-tetramethylbenzoic acid is C11H13BrO2.
What is the molecular weight of 4-Bromo-2,3,5,6-tetramethylbenzoic acid?
The molecular weight of 4-Bromo-2,3,5,6-tetramethylbenzoic acid is 256.01 g/mol.
Where can I buy 4-Bromo-2,3,5,6-tetramethylbenzoic acid?
You can request a quote for 4-Bromo-2,3,5,6-tetramethylbenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromo-2,3,5,6-tetramethylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-2,3,5,6-tetramethylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.