1-(2,2-Dichlorovinyl)cyclopropanecarboxylic acid
TL;DR: 1-(2,2-Dichlorovinyl)cyclopropanecarboxylic acid (CAS 139196-98-8) is a chemical compound with molecular formula C6H6Cl2O2 and molecular weight 179.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,2-dichloroethenyl)cyclopropane-1-carboxylic acid
Also Known As: 1-(2,2-dichlorovinyl)cyclopropanecarboxylic acid, 1-(2,2-dichloroethenyl)cyclopropane-1-carboxylic acid, cyclopropanecarboxylic acid, 1-(2,2-dichloroethenyl)-, InChI=1/C6H6Cl2O2/c7-4(8)3-6(1-2-6)5(9)10/h3H,1-2H2,(H,9,10
| Molecular Formula | C6H6Cl2O2 |
|---|---|
| Molecular Weight | 179.97 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 179.97449 |
| Heavy Atoms | 10 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 139196-98-8 |
|---|---|
| SMILES | C1CC1(C=C(Cl)Cl)C(=O)O |
| InChIKey | VNHCVSAJTOUUBK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(2,2-Dichlorovinyl)cyclopropanecarboxylic acid (CAS 139196-98-8), with molecular formula C6H6Cl2O2 and molecular weight 179.97 g/mol. IUPAC: 1-(2,2-dichloroethenyl)cyclopropane-1-carboxylic acid.
Chemical Property Profile of 1-(2,2-Dichlorovinyl)cyclopropanecarboxylic acid
Property Insights of 1-(2,2-Dichlorovinyl)cyclopropanecarboxylic acid
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2,2-Dichlorovinyl)cyclopropanecarboxylic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 1-(2,2-Dichlorovinyl)cyclopropanecarboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2,2-Dichlorovinyl)cyclopropanecarboxylic 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 1-(2,2-Dichlorovinyl)cyclopropanecarboxylic acid?
The CAS number of 1-(2,2-Dichlorovinyl)cyclopropanecarboxylic acid is 139196-98-8.
What is the molecular formula of 1-(2,2-Dichlorovinyl)cyclopropanecarboxylic acid?
The molecular formula of 1-(2,2-Dichlorovinyl)cyclopropanecarboxylic acid is C6H6Cl2O2.
What is the molecular weight of 1-(2,2-Dichlorovinyl)cyclopropanecarboxylic acid?
The molecular weight of 1-(2,2-Dichlorovinyl)cyclopropanecarboxylic acid is 179.97 g/mol.
Where can I buy 1-(2,2-Dichlorovinyl)cyclopropanecarboxylic acid?
You can request a quote for 1-(2,2-Dichlorovinyl)cyclopropanecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,2-Dichlorovinyl)cyclopropanecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,2-Dichlorovinyl)cyclopropanecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.