2-Chloro-2,3-dimethylbutane
TL;DR: 2-Chloro-2,3-dimethylbutane (CAS 594-57-0) is a chemical compound with molecular formula CC(C)C(C)(C)Cl and molecular weight 120.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-2,3-dimethylbutane
Also Known As: 2-Chloro-2,3-dimethylbutane, 2-Chloro-2,3-dimethyl butane, Butane, 2-chloro-2,3-dimethyl-, tert-isohexyl chloride, 2-chloro-2,3-dimethyl-butane
| Molecular Formula | CC(C)C(C)(C)Cl |
|---|---|
| Molecular Weight | 120.07 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 120.07058 |
| Heavy Atoms | 7 |
| Complexity | 55.0 |
Chemical Identifiers
| CAS Number | 594-57-0 |
|---|---|
| SMILES | CC(C)C(C)(C)Cl |
| InChIKey | HEMQRALQJLCVBR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chloro-2,3-dimethylbutane (CAS 594-57-0), with molecular formula CC(C)C(C)(C)Cl and molecular weight 120.07 g/mol. IUPAC: 2-chloro-2,3-dimethylbutane.
Chemical Property Profile of 2-Chloro-2,3-dimethylbutane
Property Insights of 2-Chloro-2,3-dimethylbutane
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-2,3-dimethylbutane. With a topological polar surface area (TPSA) of 0.0 Ų, 2-Chloro-2,3-dimethylbutane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-2,3-dimethylbutane 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 2-Chloro-2,3-dimethylbutane?
The CAS number of 2-Chloro-2,3-dimethylbutane is 594-57-0.
What is the molecular formula of 2-Chloro-2,3-dimethylbutane?
The molecular formula of 2-Chloro-2,3-dimethylbutane is CC(C)C(C)(C)Cl.
What is the molecular weight of 2-Chloro-2,3-dimethylbutane?
The molecular weight of 2-Chloro-2,3-dimethylbutane is 120.07 g/mol.
Where can I buy 2-Chloro-2,3-dimethylbutane?
You can request a quote for 2-Chloro-2,3-dimethylbutane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-2,3-dimethylbutane?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-2,3-dimethylbutane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.