3-Bromo-4-ethylbenzoic acid
TL;DR: 3-Bromo-4-ethylbenzoic acid (CAS 99548-53-5) 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-4-ethylbenzoic acid
Also Known As: 3-bromo-4-ethylbenzoic acid, 3-bromo-4-ethyl-benzoic Acid, 3-Bromo-4-ethylbenzoicacid, Benzoic acid, 3-bromo-4-ethyl-, 6984AC
| Molecular Formula | C9H9BrO2 |
|---|---|
| Molecular Weight | 227.98 g/mol |
| LogP | 2.7097 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 227.97859 |
| Heavy Atoms | 12 |
| Complexity | 307.39688 |
Chemical Identifiers
| CAS Number | 99548-53-5 |
|---|---|
| SMILES | CCC1=C(C=C(C=C1)C(=O)O)Br |
Product Overview
3-Bromo-4-ethylbenzoic acid (CAS 99548-53-5), with molecular formula C9H9BrO2 and molecular weight 227.98 g/mol. IUPAC: 3-bromo-4-ethylbenzoic acid.
Chemical Property Profile of 3-Bromo-4-ethylbenzoic acid
Property Insights of 3-Bromo-4-ethylbenzoic acid
The XLogP value of 2.7097 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromo-4-ethylbenzoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 3-Bromo-4-ethylbenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-4-ethylbenzoic 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-ethylbenzoic acid?
The CAS number of 3-Bromo-4-ethylbenzoic acid is 99548-53-5.
What is the molecular formula of 3-Bromo-4-ethylbenzoic acid?
The molecular formula of 3-Bromo-4-ethylbenzoic acid is C9H9BrO2.
What is the molecular weight of 3-Bromo-4-ethylbenzoic acid?
The molecular weight of 3-Bromo-4-ethylbenzoic acid is 227.98 g/mol.
Where can I buy 3-Bromo-4-ethylbenzoic acid?
You can request a quote for 3-Bromo-4-ethylbenzoic 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-ethylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-4-ethylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.