Butyl 2,2-dichlorocyclopropanecarboxylate
TL;DR: Butyl 2,2-dichlorocyclopropanecarboxylate (CAS 6120-42-9) is a chemical compound with molecular formula C8H12Cl2O2 and molecular weight 210.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 2,2-dichlorocyclopropane-1-carboxylate
Also Known As: butyl 2,2-dichlorocyclopropanecarboxylate, butyl 2,2-dichlorocyclopropane-1-carboxylate, 2,2-Dichlorocyclopropane-1-carboxylic acid butyl ester, RefChem:330969
| Molecular Formula | C8H12Cl2O2 |
|---|---|
| Molecular Weight | 210.02 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 210.02144 |
| Heavy Atoms | 12 |
| Complexity | 180.0 |
Chemical Identifiers
| CAS Number | 6120-42-9 |
|---|---|
| SMILES | CCCCOC(=O)C1CC1(Cl)Cl |
| InChIKey | VYRWTRCVUHZCOS-UHFFFAOYSA-N |
Product Overview
Butyl 2,2-dichlorocyclopropanecarboxylate (CAS 6120-42-9), with molecular formula C8H12Cl2O2 and molecular weight 210.02 g/mol. IUPAC: butyl 2,2-dichlorocyclopropane-1-carboxylate.
Chemical Property Profile of Butyl 2,2-dichlorocyclopropanecarboxylate
Property Insights of Butyl 2,2-dichlorocyclopropanecarboxylate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl 2,2-dichlorocyclopropanecarboxylate. With a topological polar surface area (TPSA) of 26.3 Ų, Butyl 2,2-dichlorocyclopropanecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl 2,2-dichlorocyclopropanecarboxylate 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 Butyl 2,2-dichlorocyclopropanecarboxylate?
The CAS number of Butyl 2,2-dichlorocyclopropanecarboxylate is 6120-42-9.
What is the molecular formula of Butyl 2,2-dichlorocyclopropanecarboxylate?
The molecular formula of Butyl 2,2-dichlorocyclopropanecarboxylate is C8H12Cl2O2.
What is the molecular weight of Butyl 2,2-dichlorocyclopropanecarboxylate?
The molecular weight of Butyl 2,2-dichlorocyclopropanecarboxylate is 210.02 g/mol.
Where can I buy Butyl 2,2-dichlorocyclopropanecarboxylate?
You can request a quote for Butyl 2,2-dichlorocyclopropanecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 2,2-dichlorocyclopropanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 2,2-dichlorocyclopropanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.