Butane, 2-chloro-2-methyl-
TL;DR: Butane, 2-chloro-2-methyl- (CAS 594-36-5) is a chemical compound with molecular formula C5H11Cl and molecular weight 106.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-2-methylbutane
Also Known As: 2-Chloro-2-methylbutane, tert-Amyl chloride, tert-Pentyl chloride, 2-Methyl-2-chlorobutane, Tertiary pentyl chloride
| Molecular Formula | C5H11Cl |
|---|---|
| Molecular Weight | 106.05 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 106.05493 |
| Heavy Atoms | 6 |
| Complexity | 39.0 |
Chemical Identifiers
| CAS Number | 594-36-5 |
|---|---|
| SMILES | CCC(C)(C)Cl |
| InChIKey | CRNIHJHMEQZAAS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butane, 2-chloro-2-methyl- (CAS 594-36-5), with molecular formula C5H11Cl and molecular weight 106.05 g/mol. IUPAC: 2-chloro-2-methylbutane.
Chemical Property Profile of Butane, 2-chloro-2-methyl-
Property Insights of Butane, 2-chloro-2-methyl-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butane, 2-chloro-2-methyl-. With a topological polar surface area (TPSA) of 0.0 Ų, Butane, 2-chloro-2-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butane, 2-chloro-2-methyl- 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-2-methyl-?
The CAS number of Butane, 2-chloro-2-methyl- is 594-36-5.
What is the molecular formula of Butane, 2-chloro-2-methyl-?
The molecular formula of Butane, 2-chloro-2-methyl- is C5H11Cl.
What is the molecular weight of Butane, 2-chloro-2-methyl-?
The molecular weight of Butane, 2-chloro-2-methyl- is 106.05 g/mol.
Where can I buy Butane, 2-chloro-2-methyl-?
You can request a quote for Butane, 2-chloro-2-methyl- 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-2-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Butane, 2-chloro-2-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.