3-(2,2-Dibromoethenyl)-2-(hydroxymethyl)-2-methylcyclopropane-1-carboxylic acid
TL;DR: 3-(2,2-Dibromoethenyl)-2-(hydroxymethyl)-2-methylcyclopropane-1-carboxylic acid (CAS 82079-71-8) is a chemical compound with molecular formula C8H10Br2O3 and molecular weight 311.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,2-dibromoethenyl)-2-(hydroxymethyl)-2-methylcyclopropane-1-carboxylic acid
Also Known As: 3-(2,2-dibromoethenyl)-2-(hydroxymethyl)-2-methylcyclopropane-1-carboxylic acid, 3-(2,2-dibromoethenyl)-2-(hydroxymethyl)-2-methylcyclopropanecarboxylic acid, Cyclopropanecarboxylic acid, 3-(2,2-dibromoethenyl)-2-(hydroxymethyl)-2-methyl-, 3-(2,2-Dibromoethen-1-yl)-2-(hydroxymethyl)-2-methylcyclopropane-1-carboxylic acid, 3-(2,2-dibromoethenyl)-2-(hydroxymethyl)-2-methyl-cyclopropane-1-carboxylic Acid
| Molecular Formula | C8H10Br2O3 |
|---|---|
| Molecular Weight | 311.90 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 311.89966 |
| Heavy Atoms | 13 |
| Complexity | 260.0 |
Chemical Identifiers
| CAS Number | 82079-71-8 |
|---|---|
| SMILES | CC1(C(C1C(=O)O)C=C(Br)Br)CO |
| InChIKey | RWQBOOWAEIHIJT-UHFFFAOYSA-N |
Product Overview
3-(2,2-Dibromoethenyl)-2-(hydroxymethyl)-2-methylcyclopropane-1-carboxylic acid (CAS 82079-71-8), with molecular formula C8H10Br2O3 and molecular weight 311.90 g/mol. IUPAC: 3-(2,2-dibromoethenyl)-2-(hydroxymethyl)-2-methylcyclopropane-1-carboxylic acid.
Chemical Property Profile of 3-(2,2-Dibromoethenyl)-2-(hydroxymethyl)-2-methylcyclopropane-1-carboxylic acid
Property Insights of 3-(2,2-Dibromoethenyl)-2-(hydroxymethyl)-2-methylcyclopropane-1-carboxylic acid
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2,2-Dibromoethenyl)-2-(hydroxymethyl)-2-methylcyclopropane-1-carboxylic acid. With a topological polar surface area (TPSA) of 57.5 Ų, 3-(2,2-Dibromoethenyl)-2-(hydroxymethyl)-2-methylcyclopropane-1-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2,2-Dibromoethenyl)-2-(hydroxymethyl)-2-methylcyclopropane-1-carboxylic acid has 2 hydrogen bond donor(s) and 3 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-(2,2-Dibromoethenyl)-2-(hydroxymethyl)-2-methylcyclopropane-1-carboxylic acid?
The CAS number of 3-(2,2-Dibromoethenyl)-2-(hydroxymethyl)-2-methylcyclopropane-1-carboxylic acid is 82079-71-8.
What is the molecular formula of 3-(2,2-Dibromoethenyl)-2-(hydroxymethyl)-2-methylcyclopropane-1-carboxylic acid?
The molecular formula of 3-(2,2-Dibromoethenyl)-2-(hydroxymethyl)-2-methylcyclopropane-1-carboxylic acid is C8H10Br2O3.
What is the molecular weight of 3-(2,2-Dibromoethenyl)-2-(hydroxymethyl)-2-methylcyclopropane-1-carboxylic acid?
The molecular weight of 3-(2,2-Dibromoethenyl)-2-(hydroxymethyl)-2-methylcyclopropane-1-carboxylic acid is 311.90 g/mol.
Where can I buy 3-(2,2-Dibromoethenyl)-2-(hydroxymethyl)-2-methylcyclopropane-1-carboxylic acid?
You can request a quote for 3-(2,2-Dibromoethenyl)-2-(hydroxymethyl)-2-methylcyclopropane-1-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2,2-Dibromoethenyl)-2-(hydroxymethyl)-2-methylcyclopropane-1-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(2,2-Dibromoethenyl)-2-(hydroxymethyl)-2-methylcyclopropane-1-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.