3-tert-Butyl-1,1-dichloro-2,2-dimethylcyclopropane
TL;DR: 3-tert-Butyl-1,1-dichloro-2,2-dimethylcyclopropane (CAS 17171-92-5) is a chemical compound with molecular formula C9H16Cl2 and molecular weight 194.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-tert-butyl-1,1-dichloro-2,2-dimethylcyclopropane
Also Known As: 3-tert-Butyl-1,1-dichloro-2,2-dimethylcyclopropane, Propane, 2-(2,2-dichloro-3,3-dimethylcyclopropyl)-2-methyl-, 3-tert-Butyl-1,1-dichloro-2,2-dimethylcyclopropane #, Cyclopropane, 1,1-dichloro-3-(1,1-dimethylethyl)-2,2-dimethyl-, RefChem:282643
| Molecular Formula | C9H16Cl2 |
|---|---|
| Molecular Weight | 194.06 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 194.06291 |
| Heavy Atoms | 11 |
| Complexity | 174.0 |
Chemical Identifiers
| CAS Number | 17171-92-5 |
|---|---|
| SMILES | CC1(C(C1(Cl)Cl)C(C)(C)C)C |
| InChIKey | LFKAUQAAELSUAM-UHFFFAOYSA-N |
Product Overview
3-tert-Butyl-1,1-dichloro-2,2-dimethylcyclopropane (CAS 17171-92-5), with molecular formula C9H16Cl2 and molecular weight 194.06 g/mol. IUPAC: 3-tert-butyl-1,1-dichloro-2,2-dimethylcyclopropane.
Chemical Property Profile of 3-tert-Butyl-1,1-dichloro-2,2-dimethylcyclopropane
Property Insights of 3-tert-Butyl-1,1-dichloro-2,2-dimethylcyclopropane
The XLogP value of 4.3 indicates that 3-tert-Butyl-1,1-dichloro-2,2-dimethylcyclopropane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 3-tert-Butyl-1,1-dichloro-2,2-dimethylcyclopropane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-tert-Butyl-1,1-dichloro-2,2-dimethylcyclopropane has 0 hydrogen bond donor(s) and 0 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-tert-Butyl-1,1-dichloro-2,2-dimethylcyclopropane?
The CAS number of 3-tert-Butyl-1,1-dichloro-2,2-dimethylcyclopropane is 17171-92-5.
What is the molecular formula of 3-tert-Butyl-1,1-dichloro-2,2-dimethylcyclopropane?
The molecular formula of 3-tert-Butyl-1,1-dichloro-2,2-dimethylcyclopropane is C9H16Cl2.
What is the molecular weight of 3-tert-Butyl-1,1-dichloro-2,2-dimethylcyclopropane?
The molecular weight of 3-tert-Butyl-1,1-dichloro-2,2-dimethylcyclopropane is 194.06 g/mol.
Where can I buy 3-tert-Butyl-1,1-dichloro-2,2-dimethylcyclopropane?
You can request a quote for 3-tert-Butyl-1,1-dichloro-2,2-dimethylcyclopropane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-tert-Butyl-1,1-dichloro-2,2-dimethylcyclopropane?
Yes, KEHONG BIO provides custom synthesis services for 3-tert-Butyl-1,1-dichloro-2,2-dimethylcyclopropane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.