1-Chloro-2-methylbutane
TL;DR: 1-Chloro-2-methylbutane (CAS 616-13-7) 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.
1-chloro-2-methylbutane
Also Known As: 1-Chloro-2-methylbutane, Butane, 1-chloro-2-methyl-, 1-Chloro-2-Methyl-Butane, 2-methylbutyl chloride, (S)-(+)-1-Chloro-2-methylbutane
| 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 | 2 |
| Exact Mass | 106.05493 |
| Heavy Atoms | 6 |
| Complexity | 27.0 |
Chemical Identifiers
| CAS Number | 616-13-7 |
|---|---|
| SMILES | CCC(C)CCl |
| InChIKey | IWAKWOFEHSYKSI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Chloro-2-methylbutane (CAS 616-13-7), with molecular formula C5H11Cl and molecular weight 106.05 g/mol. IUPAC: 1-chloro-2-methylbutane.
Chemical Property Profile of 1-Chloro-2-methylbutane
Property Insights of 1-Chloro-2-methylbutane
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Chloro-2-methylbutane. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Chloro-2-methylbutane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-2-methylbutane 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-Chloro-2-methylbutane?
The CAS number of 1-Chloro-2-methylbutane is 616-13-7.
What is the molecular formula of 1-Chloro-2-methylbutane?
The molecular formula of 1-Chloro-2-methylbutane is C5H11Cl.
What is the molecular weight of 1-Chloro-2-methylbutane?
The molecular weight of 1-Chloro-2-methylbutane is 106.05 g/mol.
Where can I buy 1-Chloro-2-methylbutane?
You can request a quote for 1-Chloro-2-methylbutane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloro-2-methylbutane?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-2-methylbutane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.