2-Bromo-2-cyclohexylacetic acid
TL;DR: 2-Bromo-2-cyclohexylacetic acid (CAS 5428-00-2) is a chemical compound with molecular formula C8H13BrO2 and molecular weight 220.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-2-cyclohexylacetic acid
Also Known As: 2-bromo-2-cyclohexylacetic acid, bromo(cyclohexyl)acetic acid, 866-188-9, RefChem:466150
| Molecular Formula | C8H13BrO2 |
|---|---|
| Molecular Weight | 220.01 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 220.00989 |
| Heavy Atoms | 11 |
| Complexity | 141.0 |
Chemical Identifiers
| CAS Number | 5428-00-2 |
|---|---|
| SMILES | C1CCC(CC1)C(C(=O)O)Br |
| InChIKey | HQZXUBBDWRDPCS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Bromo-2-cyclohexylacetic acid (CAS 5428-00-2), with molecular formula C8H13BrO2 and molecular weight 220.01 g/mol. IUPAC: 2-bromo-2-cyclohexylacetic acid.
Chemical Property Profile of 2-Bromo-2-cyclohexylacetic acid
Property Insights of 2-Bromo-2-cyclohexylacetic acid
The XLogP value of 3.0 indicates that 2-Bromo-2-cyclohexylacetic 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-2-cyclohexylacetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-2-cyclohexylacetic 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-2-cyclohexylacetic acid?
The CAS number of 2-Bromo-2-cyclohexylacetic acid is 5428-00-2.
What is the molecular formula of 2-Bromo-2-cyclohexylacetic acid?
The molecular formula of 2-Bromo-2-cyclohexylacetic acid is C8H13BrO2.
What is the molecular weight of 2-Bromo-2-cyclohexylacetic acid?
The molecular weight of 2-Bromo-2-cyclohexylacetic acid is 220.01 g/mol.
Where can I buy 2-Bromo-2-cyclohexylacetic acid?
You can request a quote for 2-Bromo-2-cyclohexylacetic 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-2-cyclohexylacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-2-cyclohexylacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.