3-Bromo-4-neopentylbenzoic acid
TL;DR: 3-Bromo-4-neopentylbenzoic acid (CAS 904444-37-7) is a chemical compound with molecular formula C12H15BrO2 and molecular weight 270.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-4-(2,2-dimethylpropyl)benzoic acid
Also Known As: 3-bromo-4-neopentylbenzoic acid, 3-Bromo-4-neopentylbenzoicacid, 3-bromo-4-(2,2-dimethylpropyl)benzoic acid, AE-562/43287151
| Molecular Formula | C12H15BrO2 |
|---|---|
| Molecular Weight | 270.03 g/mol |
| LogP | 3.7359 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 270.02554 |
| Heavy Atoms | 15 |
| Complexity | 377.69876 |
Chemical Identifiers
| CAS Number | 904444-37-7 |
|---|---|
| SMILES | CC(C)(C)CC1=C(C=C(C=C1)C(=O)O)Br |
Product Overview
3-Bromo-4-neopentylbenzoic acid (CAS 904444-37-7), with molecular formula C12H15BrO2 and molecular weight 270.03 g/mol. IUPAC: 3-bromo-4-(2,2-dimethylpropyl)benzoic acid.
Chemical Property Profile of 3-Bromo-4-neopentylbenzoic acid
Property Insights of 3-Bromo-4-neopentylbenzoic acid
The XLogP value of 3.7359 indicates that 3-Bromo-4-neopentylbenzoic 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, 3-Bromo-4-neopentylbenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-4-neopentylbenzoic 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-4-neopentylbenzoic acid?
The CAS number of 3-Bromo-4-neopentylbenzoic acid is 904444-37-7.
What is the molecular formula of 3-Bromo-4-neopentylbenzoic acid?
The molecular formula of 3-Bromo-4-neopentylbenzoic acid is C12H15BrO2.
What is the molecular weight of 3-Bromo-4-neopentylbenzoic acid?
The molecular weight of 3-Bromo-4-neopentylbenzoic acid is 270.03 g/mol.
Where can I buy 3-Bromo-4-neopentylbenzoic acid?
You can request a quote for 3-Bromo-4-neopentylbenzoic 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-4-neopentylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-4-neopentylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.