1,1,2-Trimethylcyclopropane
TL;DR: 1,1,2-Trimethylcyclopropane (CAS 4127-45-1) is a chemical compound with molecular formula C6H12 and molecular weight 84.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,2-trimethylcyclopropane
Also Known As: 1,1,2-Trimethylcyclopropane, Cyclopropane, 1,1,2-trimethyl-, 1,2-Trimethylcyclopropane, Cyclopropane,1,1,2-trimethyl-, Cyclopropane,1,2-trimethyl-
| Molecular Formula | C6H12 |
|---|---|
| Molecular Weight | 84.09 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 84.0939 |
| Heavy Atoms | 6 |
| Complexity | 62.0 |
Chemical Identifiers
| CAS Number | 4127-45-1 |
|---|---|
| SMILES | CC1CC1(C)C |
| InChIKey | BXIIJPAVISPOGI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1,2-Trimethylcyclopropane (CAS 4127-45-1), with molecular formula C6H12 and molecular weight 84.09 g/mol. IUPAC: 1,1,2-trimethylcyclopropane.
Chemical Property Profile of 1,1,2-Trimethylcyclopropane
Property Insights of 1,1,2-Trimethylcyclopropane
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1,2-Trimethylcyclopropane. With a topological polar surface area (TPSA) of 0.0 Ų, 1,1,2-Trimethylcyclopropane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,2-Trimethylcyclopropane 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 1,1,2-Trimethylcyclopropane?
The CAS number of 1,1,2-Trimethylcyclopropane is 4127-45-1.
What is the molecular formula of 1,1,2-Trimethylcyclopropane?
The molecular formula of 1,1,2-Trimethylcyclopropane is C6H12.
What is the molecular weight of 1,1,2-Trimethylcyclopropane?
The molecular weight of 1,1,2-Trimethylcyclopropane is 84.09 g/mol.
Where can I buy 1,1,2-Trimethylcyclopropane?
You can request a quote for 1,1,2-Trimethylcyclopropane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1,2-Trimethylcyclopropane?
Yes, KEHONG BIO provides custom synthesis services for 1,1,2-Trimethylcyclopropane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.