2-Bromo-4-tert-butylbenzoic acid
TL;DR: 2-Bromo-4-tert-butylbenzoic acid (CAS 7153-13-1) 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.
2-bromo-4-tert-butylbenzoic acid
Also Known As: 2-Bromo-4-(tert-butyl)benzoic acid, 2-bromo-4-tert-butylbenzoic acid, 2-bromo-4-tert-butyl-benzoic acid, 4-tert-butyl-2-bromobenzoic acid, 2-Bromo-4-(tert-butyl)benzoicacid
| Molecular Formula | C11H13BrO2 |
|---|---|
| Molecular Weight | 256.01 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 256.0099 |
| Heavy Atoms | 14 |
| Complexity | 220.0 |
Chemical Identifiers
| CAS Number | 7153-13-1 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=C(C=C1)C(=O)O)Br |
| InChIKey | ZLTIYXKXOZKGDG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Bromo-4-tert-butylbenzoic acid (CAS 7153-13-1), with molecular formula C11H13BrO2 and molecular weight 256.01 g/mol. IUPAC: 2-bromo-4-tert-butylbenzoic acid.
Chemical Property Profile of 2-Bromo-4-tert-butylbenzoic acid
Property Insights of 2-Bromo-4-tert-butylbenzoic acid
The XLogP value of 4.8 indicates that 2-Bromo-4-tert-butylbenzoic 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, 2-Bromo-4-tert-butylbenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-4-tert-butylbenzoic 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 2-Bromo-4-tert-butylbenzoic acid?
The CAS number of 2-Bromo-4-tert-butylbenzoic acid is 7153-13-1.
What is the molecular formula of 2-Bromo-4-tert-butylbenzoic acid?
The molecular formula of 2-Bromo-4-tert-butylbenzoic acid is C11H13BrO2.
What is the molecular weight of 2-Bromo-4-tert-butylbenzoic acid?
The molecular weight of 2-Bromo-4-tert-butylbenzoic acid is 256.01 g/mol.
Where can I buy 2-Bromo-4-tert-butylbenzoic acid?
You can request a quote for 2-Bromo-4-tert-butylbenzoic 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-4-tert-butylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-4-tert-butylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.