2,2-Dichlorohexane
TL;DR: 2,2-Dichlorohexane (CAS 42131-89-5) is a chemical compound with molecular formula C6H12Cl2 and molecular weight 154.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dichlorohexane
Also Known As: 2,2-dichlorohexane, 2,2-dichloro-hexane, Hexane, 2,2-dichloro-, RefChem:1059086
| Molecular Formula | C6H12Cl2 |
|---|---|
| Molecular Weight | 154.03 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 154.0316 |
| Heavy Atoms | 8 |
| Complexity | 59.0 |
Chemical Identifiers
| CAS Number | 42131-89-5 |
|---|---|
| SMILES | CCCCC(C)(Cl)Cl |
| InChIKey | SJDNOQZXJRUKDE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2-Dichlorohexane (CAS 42131-89-5), with molecular formula C6H12Cl2 and molecular weight 154.03 g/mol. IUPAC: 2,2-dichlorohexane.
Chemical Property Profile of 2,2-Dichlorohexane
Property Insights of 2,2-Dichlorohexane
The XLogP value of 3.5 indicates that 2,2-Dichlorohexane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 2,2-Dichlorohexane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Dichlorohexane 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 2,2-Dichlorohexane?
The CAS number of 2,2-Dichlorohexane is 42131-89-5.
What is the molecular formula of 2,2-Dichlorohexane?
The molecular formula of 2,2-Dichlorohexane is C6H12Cl2.
What is the molecular weight of 2,2-Dichlorohexane?
The molecular weight of 2,2-Dichlorohexane is 154.03 g/mol.
Where can I buy 2,2-Dichlorohexane?
You can request a quote for 2,2-Dichlorohexane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Dichlorohexane?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dichlorohexane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.