2,2-Dibromocyclopropanecarboxylic acid
TL;DR: 2,2-Dibromocyclopropanecarboxylic acid (CAS 5394-69-4) is a chemical compound with molecular formula C4H4Br2O2 and molecular weight 241.86 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dibromocyclopropane-1-carboxylic acid
Also Known As: 2,2-dibromocyclopropanecarboxylic acid, 2,2-dibromocyclopropane-1-carboxylic acid, Cyclopropanecarboxylic acid, 2,2-dibromo-, 2,2-dibromocyclopropane carboxylic acid, 2,2-Dibromo-cyclopropane-1-carboxylic acid
| Molecular Formula | C4H4Br2O2 |
|---|---|
| Molecular Weight | 241.86 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 241.8578 |
| Heavy Atoms | 8 |
| Complexity | 132.0 |
Chemical Identifiers
| CAS Number | 5394-69-4 |
|---|---|
| SMILES | C1C(C1(Br)Br)C(=O)O |
| InChIKey | ZZQWHIVRLNQEDZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2-Dibromocyclopropanecarboxylic acid (CAS 5394-69-4), with molecular formula C4H4Br2O2 and molecular weight 241.86 g/mol. IUPAC: 2,2-dibromocyclopropane-1-carboxylic acid.
Chemical Property Profile of 2,2-Dibromocyclopropanecarboxylic acid
Property Insights of 2,2-Dibromocyclopropanecarboxylic acid
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Dibromocyclopropanecarboxylic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 2,2-Dibromocyclopropanecarboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Dibromocyclopropanecarboxylic 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 2,2-Dibromocyclopropanecarboxylic acid?
The CAS number of 2,2-Dibromocyclopropanecarboxylic acid is 5394-69-4.
What is the molecular formula of 2,2-Dibromocyclopropanecarboxylic acid?
The molecular formula of 2,2-Dibromocyclopropanecarboxylic acid is C4H4Br2O2.
What is the molecular weight of 2,2-Dibromocyclopropanecarboxylic acid?
The molecular weight of 2,2-Dibromocyclopropanecarboxylic acid is 241.86 g/mol.
Where can I buy 2,2-Dibromocyclopropanecarboxylic acid?
You can request a quote for 2,2-Dibromocyclopropanecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Dibromocyclopropanecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dibromocyclopropanecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.