3-溴-2,4,6-三甲基苯甲酸
TL;DR: 3-溴-2,4,6-三甲基苯甲酸 (CAS 58177-53-0) is a chemical compound with molecular formula C10H11BrO2 and molecular weight 241.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-溴-2,4,6-三甲基苯甲酸
3-bromo-2,4,6-trimethylbenzoic acid
Also Known As: 3-bromo-2,4,6-trimethylbenzoic acid, 3-bromomesitoic acid, 3-Bromo-beta-isodurylic acid, Benzoic acid,4,6-trimethyl-, .beta.-Isodurylic acid, 3-bromo-
| Molecular Formula | C10H11BrO2 |
|---|---|
| Molecular Weight | 241.99 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 241.99425 |
| Heavy Atoms | 13 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 58177-53-0 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1C(=O)O)C)Br)C |
| InChIKey | VUVHCRZIUORPEG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-溴-2,4,6-三甲基苯甲酸 (CAS 58177-53-0), with molecular formula C10H11BrO2 and molecular weight 241.99 g/mol. IUPAC: 3-bromo-2,4,6-trimethylbenzoic acid.
Chemical Property Profile of 3-溴-2,4,6-三甲基苯甲酸
Property Insights of 3-溴-2,4,6-三甲基苯甲酸
The XLogP value of 3.2 indicates that 3-溴-2,4,6-三甲基苯甲酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 3-溴-2,4,6-三甲基苯甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-溴-2,4,6-三甲基苯甲酸 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-溴-2,4,6-三甲基苯甲酸?
The CAS number of 3-溴-2,4,6-三甲基苯甲酸 is 58177-53-0.
What is the molecular formula of 3-溴-2,4,6-三甲基苯甲酸?
The molecular formula of 3-溴-2,4,6-三甲基苯甲酸 is C10H11BrO2.
What is the molecular weight of 3-溴-2,4,6-三甲基苯甲酸?
The molecular weight of 3-溴-2,4,6-三甲基苯甲酸 is 241.99 g/mol.
Where can I buy 3-溴-2,4,6-三甲基苯甲酸?
You can request a quote for 3-溴-2,4,6-三甲基苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-溴-2,4,6-三甲基苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 3-溴-2,4,6-三甲基苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.