Methyl cis-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate
TL;DR: Methyl cis-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate (CAS 59897-93-7) is a chemical compound with molecular formula C9H12Cl2O2 and molecular weight 222.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trans-methyl (1S,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
Also Known As: Methyl cis-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate, methyl (1S,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate, Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, methyl ester, (1alpha,3alpha)-3-(2,2-Dichloroethenyl)-2,2-dimethylcyclopropanecarboxylic acid methyl ester, (1S)-2beta-(2,2-Dichloroethenyl)-3,3-dimethylcyclopropane-1beta-carboxylic acid methyl ester
| Molecular Formula | C9H12Cl2O2 |
|---|---|
| Molecular Weight | 222.02 g/mol |
| LogP | 2.7506 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.02144 |
| Heavy Atoms | 13 |
| Complexity | 254.34032 |
Chemical Identifiers
| CAS Number | 59897-93-7 |
|---|---|
| SMILES | CC1([C@@H]([C@@H]1C(=O)OC)C=C(Cl)Cl)C |
Product Overview
Methyl cis-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate (CAS 59897-93-7), with molecular formula C9H12Cl2O2 and molecular weight 222.02 g/mol. IUPAC: trans-methyl (1S,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate.
Chemical Property Profile of Methyl cis-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate
Property Insights of Methyl cis-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate
The XLogP value of 2.7506 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl cis-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl cis-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl cis-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate has 0 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 Methyl cis-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate?
The CAS number of Methyl cis-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate is 59897-93-7.
What is the molecular formula of Methyl cis-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate?
The molecular formula of Methyl cis-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate is C9H12Cl2O2.
What is the molecular weight of Methyl cis-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate?
The molecular weight of Methyl cis-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate is 222.02 g/mol.
Where can I buy Methyl cis-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate?
You can request a quote for Methyl cis-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl cis-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl cis-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.