1,3-Dimethylcyclobutane
TL;DR: 1,3-Dimethylcyclobutane (CAS 2398-10-9) 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.
1,3-dimethylcyclobutane
Also Known As: 1,3-dimethylcyclobutane, Cyclobutane, 1,3-dimethyl, cis-1,3-Dimethylcyclobutane, trans-1,3-Dimethylcyclobutane, 1alpha,3beta-Dimethylcyclobutane
| Molecular Formula | C6H12 |
|---|---|
| Molecular Weight | 84.09 g/mol |
| LogP | 2.7 |
| 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 | 32.0 |
Chemical Identifiers
| CAS Number | 2398-10-9 |
|---|---|
| SMILES | CC1CC(C1)C |
| InChIKey | WKHRDGKOKYBNDZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Dimethylcyclobutane (CAS 2398-10-9), with molecular formula C6H12 and molecular weight 84.09 g/mol. IUPAC: 1,3-dimethylcyclobutane.
Chemical Property Profile of 1,3-Dimethylcyclobutane
Property Insights of 1,3-Dimethylcyclobutane
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dimethylcyclobutane. With a topological polar surface area (TPSA) of 0.0 Ų, 1,3-Dimethylcyclobutane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dimethylcyclobutane 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 1,3-Dimethylcyclobutane?
The CAS number of 1,3-Dimethylcyclobutane is 2398-10-9.
What is the molecular formula of 1,3-Dimethylcyclobutane?
The molecular formula of 1,3-Dimethylcyclobutane is C6H12.
What is the molecular weight of 1,3-Dimethylcyclobutane?
The molecular weight of 1,3-Dimethylcyclobutane is 84.09 g/mol.
Where can I buy 1,3-Dimethylcyclobutane?
You can request a quote for 1,3-Dimethylcyclobutane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dimethylcyclobutane?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dimethylcyclobutane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.