2,2-Dibromo-1-methylcyclopropanecarboxylic acid
TL;DR: 2,2-Dibromo-1-methylcyclopropanecarboxylic acid (CAS 842954-83-0) is a chemical compound with molecular formula C5H6Br2O2 and molecular weight 255.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dibromo-1-methylcyclopropane-1-carboxylic acid
Also Known As: 2,2-dibromo-1-methylcyclopropanecarboxylic acid, 2,2-Dibromo-1-methyl-cyclopropanecarboxylic acid, 2,2-dibromo-1-methylcyclopropane-1-carboxylic acid, 1-Methyl-2,2-dibromocyclopropanecarboxylic acid, 2,2-dibromo-1-methylcyclopropanecarboxylicacid
| Molecular Formula | C5H6Br2O2 |
|---|---|
| Molecular Weight | 255.87 g/mol |
| LogP | 1.9671 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 255.87344 |
| Heavy Atoms | 9 |
| Complexity | 166.34093 |
Chemical Identifiers
| CAS Number | 842954-83-0 |
|---|---|
| SMILES | CC1(CC1(Br)Br)C(=O)O |
Product Overview
2,2-Dibromo-1-methylcyclopropanecarboxylic acid (CAS 842954-83-0), with molecular formula C5H6Br2O2 and molecular weight 255.87 g/mol. IUPAC: 2,2-dibromo-1-methylcyclopropane-1-carboxylic acid.
Chemical Property Profile of 2,2-Dibromo-1-methylcyclopropanecarboxylic acid
Property Insights of 2,2-Dibromo-1-methylcyclopropanecarboxylic acid
The XLogP value of 1.9671 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Dibromo-1-methylcyclopropanecarboxylic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 2,2-Dibromo-1-methylcyclopropanecarboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Dibromo-1-methylcyclopropanecarboxylic 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 2,2-Dibromo-1-methylcyclopropanecarboxylic acid?
The CAS number of 2,2-Dibromo-1-methylcyclopropanecarboxylic acid is 842954-83-0.
What is the molecular formula of 2,2-Dibromo-1-methylcyclopropanecarboxylic acid?
The molecular formula of 2,2-Dibromo-1-methylcyclopropanecarboxylic acid is C5H6Br2O2.
What is the molecular weight of 2,2-Dibromo-1-methylcyclopropanecarboxylic acid?
The molecular weight of 2,2-Dibromo-1-methylcyclopropanecarboxylic acid is 255.87 g/mol.
Where can I buy 2,2-Dibromo-1-methylcyclopropanecarboxylic acid?
You can request a quote for 2,2-Dibromo-1-methylcyclopropanecarboxylic 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-Dibromo-1-methylcyclopropanecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dibromo-1-methylcyclopropanecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.