Butane, 2-chloro-3,3-dimethyl
TL;DR: Butane, 2-chloro-3,3-dimethyl (CAS 5750-00-5) is a chemical compound with molecular formula C6H13Cl and molecular weight 120.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-2,2-dimethylbutane
Also Known As: 3-chloro-2,2-dimethylbutane, 2-Chloro-3,3-dimethylbutane, Butane, 2-chloro-3,3-dimethyl, 2,2-dimethyl-3-butyl chloride, J2.879.280H
| Molecular Formula | C6H13Cl |
|---|---|
| Molecular Weight | 120.07 g/mol |
| LogP | 3.0 |
| 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 | 51.0 |
Chemical Identifiers
| CAS Number | 5750-00-5 |
|---|---|
| SMILES | CC(C(C)(C)C)Cl |
| InChIKey | COVFMDKBWYLRSV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butane, 2-chloro-3,3-dimethyl (CAS 5750-00-5), with molecular formula C6H13Cl and molecular weight 120.07 g/mol. IUPAC: 3-chloro-2,2-dimethylbutane.
Chemical Property Profile of Butane, 2-chloro-3,3-dimethyl
Property Insights of Butane, 2-chloro-3,3-dimethyl
The XLogP value of 3.0 indicates that Butane, 2-chloro-3,3-dimethyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Butane, 2-chloro-3,3-dimethyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butane, 2-chloro-3,3-dimethyl 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 Butane, 2-chloro-3,3-dimethyl?
The CAS number of Butane, 2-chloro-3,3-dimethyl is 5750-00-5.
What is the molecular formula of Butane, 2-chloro-3,3-dimethyl?
The molecular formula of Butane, 2-chloro-3,3-dimethyl is C6H13Cl.
What is the molecular weight of Butane, 2-chloro-3,3-dimethyl?
The molecular weight of Butane, 2-chloro-3,3-dimethyl is 120.07 g/mol.
Where can I buy Butane, 2-chloro-3,3-dimethyl?
You can request a quote for Butane, 2-chloro-3,3-dimethyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butane, 2-chloro-3,3-dimethyl?
Yes, KEHONG BIO provides custom synthesis services for Butane, 2-chloro-3,3-dimethyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.